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CS-W001157 4
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11-Oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylic acid

  • CAS No. 440627-14-5

  • Cat. No. CS-0149778
  • Purity≥97%
  • MDL No.MFCD03019857
  • HazMat Fee +

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    The shipment is processed through FedEx Ground under the Limited Quantity option.

    Each bottle is packed as an Excepted Quantity, with a maximum of 1g for items in class 6.1 packing group I or II, and up to 25g for all other hazardous materials.

    If shipping is charged to your FedEx account, the HazMat fee will be billed directly by the courier. Otherwise, the fee will be included on your invoice. To help you avoid the HazMat fee, we can package a 5g order of a class 6.1 packing group I or II material as five separate 1g units, and a 100g order of any other dangerous good as four 25g units. This packaging adjustment will be made unless you instruct otherwise on your purchase order. Below, you will find the fee schedule from FedEx for handling hazardous materials.

    Type
    HazMat Fee
    Excepted Quantity $0.00
    FedEx Limited Quantities Ground $0.00
    Hazmat Ground shipping $50.00+
    Inaccessible (Haz class 6.1 or 9), Domestic $68.00+
    Accessible (Haz class 3, 4, 5 or 8), Domestic $158.00+
    Inaccessible (Haz class 6.1 or 9), International $108.00+
    Accessible (Haz class 3, 4, 5 or 8), International $238.00+

    An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

    There is a HazMat shipping fee for each item that qualifies as a dangerous good. Please contact our quotation team via email to confirm the details.

*For research and further manufacturing use only, not for direct human use.

11-Oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylic acid|CS-0149778

Structure of 440627-14-5

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Description

This oxo-thiazepine carboxylic acid features a fused tricyclic scaffold with a ketone at the 11-position and a carboxylate group at C8, enabling direct integration into bioactive molecule scaffolds. The electron-deficient aromatic system enhances reactivity in coupling reactions, while the bench-stable functionality supports straightforward derivatization under standard conditions.

Application

11-Oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylic acid serves as a valuable heterocyclic building block for medicinal chemistry campaigns targeting CNS-active compounds. The molecule features a fused thiazepine core with a ketone at C11 and a carboxylic acid at C8, enabling diverse functionalization via nucleophilic addition, amidation, or reductive amination. Its bench-stable nature and compatibility with standard purification methods support reliable integration into multi-step syntheses of bioactive scaffolds.

General Information

  • CAS No. 440627-14-5
  • Cat. No. CS-0149778
  • Purity ≥97%
  • MDL No. MFCD03019857
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₉NO₃S
  • Molecular Weight 271.29
  • Synonym(s) methyl 6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxylate
  • SMILES O=C(O)C1=CC=2NC(C3=CC=CC=C3SC2C=C1)=O

Computational Chemistry Data

  • TPSA   66.4
  • LogP   3.1017
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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