![4-[(4-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylic acid structure](/static/products/4778/477854-49-2.webp)
4-[(4-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylic acid
TL;DR: 4-[(4-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylic acid (CAS 477854-49-2) is a chemical compound with molecular formula C17H11ClN2O2S and molecular weight 342.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)sulfanyl-2-phenylpyrimidine-5-carboxylic acid
Also Known As: 4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylic acid, 4-[(4-chlorophenyl)sulfanyl]-2-phenylpyrimidine-5-carboxylic acid, 4-(4-chlorophenyl)sulfanyl-2-phenylpyrimidine-5-carboxylic acid, 4-(4-chlorophenyl)sulfanyl-2-phenyl-pyrimidine-5-carboxylic acid, 4-[(4-chlorophenyl)thio]-2-phenyl-5-pyrimidinecarboxylic acid
| Molecular Formula | C17H11ClN2O2S |
|---|---|
| Molecular Weight | 342.02 g/mol |
| LogP | 4.6464 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.02298 |
| Heavy Atoms | 23 |
| Complexity | 838.97205 |
Chemical Identifiers
| CAS Number | 477854-49-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC=C(C(=N2)SC3=CC=C(C=C3)Cl)C(=O)O |
Product Overview
4-[(4-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylic acid (CAS 477854-49-2), with molecular formula C17H11ClN2O2S and molecular weight 342.02 g/mol. IUPAC: 4-(4-chlorophenyl)sulfanyl-2-phenylpyrimidine-5-carboxylic acid.
Chemical Property Profile of 4-[(4-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylic acid
Property Insights of 4-[(4-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylic acid
The XLogP value of 4.6464 indicates that 4-[(4-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylic acid. Following Lipinski's Rule of Five, 4-[(4-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylic 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 4-[(4-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylic acid?
The CAS number of 4-[(4-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylic acid is 477854-49-2.
What is the molecular formula of 4-[(4-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylic acid?
The molecular formula of 4-[(4-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylic acid is C17H11ClN2O2S.
What is the molecular weight of 4-[(4-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylic acid?
The molecular weight of 4-[(4-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylic acid is 342.02 g/mol.
Where can I buy 4-[(4-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylic acid?
You can request a quote for 4-[(4-Chlorophenyl)sulfanyl]-2-phenyl-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 4-[(4-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.