Methyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate
TL;DR: Methyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate (CAS 889304-30-7) is a chemical compound with molecular formula C14H12ClN3O3S and molecular weight 337.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]benzoate
Also Known As: VU0608939-1, methyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate, F3290-0075, methyl 2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]benzoate, METHYL 2-[5-CHLORO-2-(METHYLSULFANYL)PYRIMIDINE-4-AMIDO]BENZOATE
| Molecular Formula | C14H12ClN3O3S |
|---|---|
| Molecular Weight | 337.03 g/mol |
| LogP | 2.8908 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.02878 |
| Heavy Atoms | 22 |
| Complexity | 724.2293 |
Chemical Identifiers
| CAS Number | 889304-30-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)C2=NC(=NC=C2Cl)SC |
Product Overview
Methyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate (CAS 889304-30-7), with molecular formula C14H12ClN3O3S and molecular weight 337.03 g/mol. IUPAC: methyl 2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]benzoate.
Chemical Property Profile of Methyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate
Property Insights of Methyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate
The XLogP value of 2.8908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate. Following Lipinski's Rule of Five, Methyl 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 Methyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate?
The CAS number of Methyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate is 889304-30-7.
What is the molecular formula of Methyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate?
The molecular formula of Methyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate is C14H12ClN3O3S.
What is the molecular weight of Methyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate?
The molecular weight of Methyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate is 337.03 g/mol.
Where can I buy Methyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate?
You can request a quote for Methyl 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 Methyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.