2-(Benzylthio)-4-hydroxy-5-pyrimidinecarboxylic acid
TL;DR: 2-(Benzylthio)-4-hydroxy-5-pyrimidinecarboxylic acid (CAS 93185-33-2) is a chemical compound with molecular formula C12H10N2O3S and molecular weight 262.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylic acid
Also Known As: 2-(BENZYLTHIO)-4-HYDROXY-5-PYRIMIDINECARBOXYLIC ACID, 2-(benzylthio)-4-hydroxypyrimidine-5-carboxylic acid, 2-benzylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylic acid, VU0508011-1, W-9671
| Molecular Formula | C12H10N2O3S |
|---|---|
| Molecular Weight | 262.04 g/mol |
| LogP | 1.7604 |
| Topological Polar Surface Area | 83.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.0412 |
| Heavy Atoms | 18 |
| Complexity | 610.2196 |
Chemical Identifiers
| CAS Number | 93185-33-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC=C(C(=O)N2)C(=O)O |
Product Overview
2-(Benzylthio)-4-hydroxy-5-pyrimidinecarboxylic acid (CAS 93185-33-2), with molecular formula C12H10N2O3S and molecular weight 262.04 g/mol. IUPAC: 2-benzylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylic acid.
Chemical Property Profile of 2-(Benzylthio)-4-hydroxy-5-pyrimidinecarboxylic acid
Property Insights of 2-(Benzylthio)-4-hydroxy-5-pyrimidinecarboxylic acid
The XLogP value of 1.7604 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzylthio)-4-hydroxy-5-pyrimidinecarboxylic acid. The TPSA of 83.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylthio)-4-hydroxy-5-pyrimidinecarboxylic acid. Following Lipinski's Rule of Five, 2-(Benzylthio)-4-hydroxy-5-pyrimidinecarboxylic acid has 2 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 2-(Benzylthio)-4-hydroxy-5-pyrimidinecarboxylic acid?
The CAS number of 2-(Benzylthio)-4-hydroxy-5-pyrimidinecarboxylic acid is 93185-33-2.
What is the molecular formula of 2-(Benzylthio)-4-hydroxy-5-pyrimidinecarboxylic acid?
The molecular formula of 2-(Benzylthio)-4-hydroxy-5-pyrimidinecarboxylic acid is C12H10N2O3S.
What is the molecular weight of 2-(Benzylthio)-4-hydroxy-5-pyrimidinecarboxylic acid?
The molecular weight of 2-(Benzylthio)-4-hydroxy-5-pyrimidinecarboxylic acid is 262.04 g/mol.
Where can I buy 2-(Benzylthio)-4-hydroxy-5-pyrimidinecarboxylic acid?
You can request a quote for 2-(Benzylthio)-4-hydroxy-5-pyrimidinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylthio)-4-hydroxy-5-pyrimidinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylthio)-4-hydroxy-5-pyrimidinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.