Ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate
TL;DR: Ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate (CAS 898648-59-4) is a chemical compound with molecular formula C15H14ClN3O3S and molecular weight 351.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]benzoate
Also Known As: SDCCGSBI-0659855.P001, ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate, F3290-0132, ethyl 2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]benzoate
| Molecular Formula | C15H14ClN3O3S |
|---|---|
| Molecular Weight | 351.04 g/mol |
| LogP | 3.2809 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.04443 |
| Heavy Atoms | 23 |
| Complexity | 739.6571 |
Chemical Identifiers
| CAS Number | 898648-59-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NC(=O)C2=NC(=NC=C2Cl)SC |
Product Overview
Ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate (CAS 898648-59-4), with molecular formula C15H14ClN3O3S and molecular weight 351.04 g/mol. IUPAC: ethyl 2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]benzoate.
Chemical Property Profile of Ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate
Property Insights of Ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate
The XLogP value of 3.2809 indicates that Ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate. Following Lipinski's Rule of Five, Ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate?
The CAS number of Ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate is 898648-59-4.
What is the molecular formula of Ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate?
The molecular formula of Ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate is C15H14ClN3O3S.
What is the molecular weight of Ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate?
The molecular weight of Ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate is 351.04 g/mol.
Where can I buy Ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate?
You can request a quote for Ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.