5-Chloro-2-(ethylthio)pyrimidine-4-carboxylic acid
TL;DR: 5-Chloro-2-(ethylthio)pyrimidine-4-carboxylic acid (CAS 382610-58-4) is a chemical compound with molecular formula C7H7ClN2O2S and molecular weight 217.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-ethylsulfanylpyrimidine-4-carboxylic acid
Also Known As: 5-chloro-2-(ethylthio)pyrimidine-4-carboxylic acid, 5-chloro-2-ethylsulfanylpyrimidine-4-carboxylic acid, 5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxylic acid, Phosphine,[1,1'-biphenyl]-2-yldibutyl, 5-chloro-2-ethylsulfanyl-pyrimidine-4-carboxylic Acid
| Molecular Formula | C7H7ClN2O2S |
|---|---|
| Molecular Weight | 217.99 g/mol |
| LogP | 1.9402 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.99167 |
| Heavy Atoms | 13 |
| Complexity | 332.26862 |
Chemical Identifiers
| CAS Number | 382610-58-4 |
|---|---|
| SMILES | CCSC1=NC=C(C(=N1)C(=O)O)Cl |
Product Overview
5-Chloro-2-(ethylthio)pyrimidine-4-carboxylic acid (CAS 382610-58-4), with molecular formula C7H7ClN2O2S and molecular weight 217.99 g/mol. IUPAC: 5-chloro-2-ethylsulfanylpyrimidine-4-carboxylic acid.
Chemical Property Profile of 5-Chloro-2-(ethylthio)pyrimidine-4-carboxylic acid
Property Insights of 5-Chloro-2-(ethylthio)pyrimidine-4-carboxylic acid
The XLogP value of 1.9402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-(ethylthio)pyrimidine-4-carboxylic acid. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-2-(ethylthio)pyrimidine-4-carboxylic acid. Following Lipinski's Rule of Five, 5-Chloro-2-(ethylthio)pyrimidine-4-carboxylic acid has 1 hydrogen bond donor(s) and 4 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 5-Chloro-2-(ethylthio)pyrimidine-4-carboxylic acid?
The CAS number of 5-Chloro-2-(ethylthio)pyrimidine-4-carboxylic acid is 382610-58-4.
What is the molecular formula of 5-Chloro-2-(ethylthio)pyrimidine-4-carboxylic acid?
The molecular formula of 5-Chloro-2-(ethylthio)pyrimidine-4-carboxylic acid is C7H7ClN2O2S.
What is the molecular weight of 5-Chloro-2-(ethylthio)pyrimidine-4-carboxylic acid?
The molecular weight of 5-Chloro-2-(ethylthio)pyrimidine-4-carboxylic acid is 217.99 g/mol.
Where can I buy 5-Chloro-2-(ethylthio)pyrimidine-4-carboxylic acid?
You can request a quote for 5-Chloro-2-(ethylthio)pyrimidine-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-(ethylthio)pyrimidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-(ethylthio)pyrimidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.