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CS-W001157 4
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4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid

  • CAS No. 641569-94-0

  • Cat. No. CS-0009198
  • Purity≥98%
  • MDL No.MFCD11521324
  • HazMat Fee +

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    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.

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

4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid|CS-0009198

Structure of 641569-94-0

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Description

4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid features a fused heterocyclic core with a pyridine-substituted pyrimidine moiety, enabling strong π–π stacking and directional hydrogen bonding. The para-amino substitution enhances electron delocalization across the aromatic framework, while the methyl group provides steric modulation. This scaffold delivers high solubility in polar organic solvents and stability under standard bench conditions, making it suitable for medicinal chemistry applications requiring precise molecular recognition.

Application

4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid serves as a versatile building block for constructing bioactive heterocyclic scaffolds. Its pyridine-pyrimidine core enables robust coupling reactions, while the carboxylic acid and methyl groups offer orthogonal functionalization potential. The molecule exhibits good bench stability and facilitates efficient purification, making it well-suited for medicinal chemistry campaigns and process development in API synthesis.

General Information

  • CAS No. 641569-94-0
  • Cat. No. CS-0009198
  • Purity ≥98%
  • MDL No. MFCD11521324
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₁₄N₄O₂
  • Molecular Weight 306.32
  • Synonym(s) Benzoic acid, 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-
  • SMILES O=C(O)C1=CC=C(C)C(NC2=NC=CC(C3=CC=CN=C3)=N2)=C1

Computational Chemistry Data

  • TPSA   88
  • LogP   3.28882
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   4

Safety Information

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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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