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CS-W001157 4
Total: USD 88.00

trans-4-(4-Chlorophenyl)cyclohexanecarboxylic acid

  • CAS No. 49708-81-8

  • Cat. No. CS-W012833
  • Purity≥97%
  • MDL No.MFCD06797626
  • HazMat Fee +

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    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.

trans-4-(4-Chlorophenyl)cyclohexanecarboxylic acid|CS-W012833

Structure of 49708-81-8

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Description

trans-4-(4-Chlorophenyl)cyclohexanecarboxylic acid features a rigid cyclohexane core with a para-chlorophenyl substituent and a carboxylic acid handle, enabling integration into bioactive scaffolds. The trans configuration ensures optimal spatial orientation for target engagement, while the electron-withdrawing chlorine enhances metabolic stability. This bench-stable derivative serves as a key building block in medicinal chemistry campaigns targeting GPCR modulators and kinase inhibitors.

Application

trans-4-(4-Chlorophenyl)cyclohexanecarboxylic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive scaffolds through established functional group transformations. Its stable cyclohexane core and ortho-directed substituents facilitate regioselective derivatization, while the carboxylic acid group supports direct coupling or salt formation. The compound exhibits excellent bench stability and is compatible with standard purification methods, making it well-suited for iterative synthesis workflows in API development.

General Information

  • CAS No. 49708-81-8
  • Cat. No. CS-W012833
  • Purity ≥97%
  • MDL No. MFCD06797626
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₅ClO₂
  • Molecular Weight 238.71
  • Synonym(s) (1r,4r)-4-(4-Chlorophenyl)cyclohexanecarboxylic acid
  • SMILES ClC1=CC=C([C@@]2([H])CC[C@@](C(O)=O)([H])CC2)C=C1

Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.6984
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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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