5-Bromo-2-(ethylthio)pyrimidine-4-carboxylic Acid
TL;DR: 5-Bromo-2-(ethylthio)pyrimidine-4-carboxylic Acid (CAS 327168-15-0) is a chemical compound with molecular formula C7H7BrN2O2S and molecular weight 261.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-ethylsulfanylpyrimidine-4-carboxylic acid
Also Known As: 5-Bromo-2-(ethylthio)pyrimidine-4-carboxylic Acid, 5-bromo-2-ethylsulfanyl-pyrimidine-4-carboxylic Acid, 5-bromo-2-ethylsulfanylpyrimidine-4-carboxylic acid, 4-Pyrimidinecarboxylic acid, 5-bromo-2-(ethylthio)-, 5-bromo-2-(ethylsulfanyl)pyrimidine-4-carboxylic acid
| Molecular Formula | C7H7BrN2O2S |
|---|---|
| Molecular Weight | 261.94 g/mol |
| LogP | 2.0493 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.94116 |
| Heavy Atoms | 13 |
| Complexity | 332.26862 |
Chemical Identifiers
| CAS Number | 327168-15-0 |
|---|---|
| SMILES | CCSC1=NC=C(C(=N1)C(=O)O)Br |
Product Overview
5-Bromo-2-(ethylthio)pyrimidine-4-carboxylic Acid (CAS 327168-15-0), with molecular formula C7H7BrN2O2S and molecular weight 261.94 g/mol. IUPAC: 5-bromo-2-ethylsulfanylpyrimidine-4-carboxylic acid.
Chemical Property Profile of 5-Bromo-2-(ethylthio)pyrimidine-4-carboxylic Acid
Property Insights of 5-Bromo-2-(ethylthio)pyrimidine-4-carboxylic Acid
The XLogP value of 2.0493 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2-(ethylthio)pyrimidine-4-carboxylic Acid. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-2-(ethylthio)pyrimidine-4-carboxylic Acid. Following Lipinski's Rule of Five, 5-Bromo-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-Bromo-2-(ethylthio)pyrimidine-4-carboxylic Acid?
The CAS number of 5-Bromo-2-(ethylthio)pyrimidine-4-carboxylic Acid is 327168-15-0.
What is the molecular formula of 5-Bromo-2-(ethylthio)pyrimidine-4-carboxylic Acid?
The molecular formula of 5-Bromo-2-(ethylthio)pyrimidine-4-carboxylic Acid is C7H7BrN2O2S.
What is the molecular weight of 5-Bromo-2-(ethylthio)pyrimidine-4-carboxylic Acid?
The molecular weight of 5-Bromo-2-(ethylthio)pyrimidine-4-carboxylic Acid is 261.94 g/mol.
Where can I buy 5-Bromo-2-(ethylthio)pyrimidine-4-carboxylic Acid?
You can request a quote for 5-Bromo-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-Bromo-2-(ethylthio)pyrimidine-4-carboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-(ethylthio)pyrimidine-4-carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.