4-Pyrimidinecarboxylic acid, 5-((4-chlorophenyl)thio)-2-(methylthio)-
TL;DR: 4-Pyrimidinecarboxylic acid, 5-((4-chlorophenyl)thio)-2-(methylthio)- (CAS 5558-95-2) is a chemical compound with molecular formula C12H9ClN2O2S2 and molecular weight 311.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)sulfanyl-2-methylsulfanylpyrimidine-4-carboxylic acid
Also Known As: 4-Pyrimidinecarboxylic acid, 5-((4-chlorophenyl)thio)-2-(methylthio)-, 5-25-07-00007 (Beilstein Handbook Reference), 5-((4-Chlorophenyl)thio)-2-(methylthio)-4-pyrimidinecarboxylic acid, 5-[(4-chlorophenyl)sulfanyl]-2-(methylsulfanyl)pyrimidine-4-carboxylic acid, 5-(4-chlorophenyl)sulfanyl-2-methylsulfanylpyrimidine-4-carboxylic acid
| Molecular Formula | C12H9ClN2O2S2 |
|---|---|
| Molecular Weight | 311.98 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.9794 |
| Heavy Atoms | 19 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 5558-95-2 |
|---|---|
| SMILES | CSC1=NC=C(C(=N1)C(=O)O)SC2=CC=C(C=C2)Cl |
| InChIKey | MHBYRHOFLOYWNI-UHFFFAOYSA-N |
Product Overview
4-Pyrimidinecarboxylic acid, 5-((4-chlorophenyl)thio)-2-(methylthio)- (CAS 5558-95-2), with molecular formula C12H9ClN2O2S2 and molecular weight 311.98 g/mol. IUPAC: 5-(4-chlorophenyl)sulfanyl-2-methylsulfanylpyrimidine-4-carboxylic acid.
Chemical Property Profile of 4-Pyrimidinecarboxylic acid, 5-((4-chlorophenyl)thio)-2-(methylthio)-
Property Insights of 4-Pyrimidinecarboxylic acid, 5-((4-chlorophenyl)thio)-2-(methylthio)-
The XLogP value of 3.6 indicates that 4-Pyrimidinecarboxylic acid, 5-((4-chlorophenyl)thio)-2-(methylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Pyrimidinecarboxylic acid, 5-((4-chlorophenyl)thio)-2-(methylthio)-. Following Lipinski's Rule of Five, 4-Pyrimidinecarboxylic acid, 5-((4-chlorophenyl)thio)-2-(methylthio)- 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 4-Pyrimidinecarboxylic acid, 5-((4-chlorophenyl)thio)-2-(methylthio)-?
The CAS number of 4-Pyrimidinecarboxylic acid, 5-((4-chlorophenyl)thio)-2-(methylthio)- is 5558-95-2.
What is the molecular formula of 4-Pyrimidinecarboxylic acid, 5-((4-chlorophenyl)thio)-2-(methylthio)-?
The molecular formula of 4-Pyrimidinecarboxylic acid, 5-((4-chlorophenyl)thio)-2-(methylthio)- is C12H9ClN2O2S2.
What is the molecular weight of 4-Pyrimidinecarboxylic acid, 5-((4-chlorophenyl)thio)-2-(methylthio)-?
The molecular weight of 4-Pyrimidinecarboxylic acid, 5-((4-chlorophenyl)thio)-2-(methylthio)- is 311.98 g/mol.
Where can I buy 4-Pyrimidinecarboxylic acid, 5-((4-chlorophenyl)thio)-2-(methylthio)-?
You can request a quote for 4-Pyrimidinecarboxylic acid, 5-((4-chlorophenyl)thio)-2-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyrimidinecarboxylic acid, 5-((4-chlorophenyl)thio)-2-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyrimidinecarboxylic acid, 5-((4-chlorophenyl)thio)-2-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.