3-(p-Chlorobenzyl)-4-hydroxy-2-oxo-6-phenyl-2H-thiopyran-5-carboxylic acid
TL;DR: 3-(p-Chlorobenzyl)-4-hydroxy-2-oxo-6-phenyl-2H-thiopyran-5-carboxylic acid (CAS 22284-74-8) is a chemical compound with molecular formula C19H13ClO4S and molecular weight 372.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)methyl]-6-hydroxy-4-oxo-2-phenylthiopyran-3-carboxylic acid
Also Known As: 3-(p-Chlorobenzyl)-4-hydroxy-2-oxo-6-phenyl-2H-thiopyran-5-carboxylic acid, 5-[(4-chlorophenyl)methyl]-6-hydroxy-4-oxo-2-phenylthiopyran-3-carboxylic acid, 3-Chlorbenzyl-4-hydroxy-5-karboxy-6-phenyl-thia-alpha-pyron, 3-Chlorbenzyl-4-hydroxy-5-karboxy-6-phenyl-thia-alpha-pyron [German], 2H-Thiopyran-5-carboxylic acid, 3-(p-chlorobenzyl)-4-hydroxy-2-oxo-6-phenyl-
| Molecular Formula | C19H13ClO4S |
|---|---|
| Molecular Weight | 372.02 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.0223 |
| Heavy Atoms | 25 |
| Complexity | 611.0 |
Chemical Identifiers
| CAS Number | 22284-74-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=O)C(=C(S2)O)CC3=CC=C(C=C3)Cl)C(=O)O |
| InChIKey | VZXGOMWJKGJGMT-UHFFFAOYSA-N |
Product Overview
3-(p-Chlorobenzyl)-4-hydroxy-2-oxo-6-phenyl-2H-thiopyran-5-carboxylic acid (CAS 22284-74-8), with molecular formula C19H13ClO4S and molecular weight 372.02 g/mol. IUPAC: 5-[(4-chlorophenyl)methyl]-6-hydroxy-4-oxo-2-phenylthiopyran-3-carboxylic acid.
Chemical Property Profile of 3-(p-Chlorobenzyl)-4-hydroxy-2-oxo-6-phenyl-2H-thiopyran-5-carboxylic acid
Property Insights of 3-(p-Chlorobenzyl)-4-hydroxy-2-oxo-6-phenyl-2H-thiopyran-5-carboxylic acid
The XLogP value of 5.0 indicates that 3-(p-Chlorobenzyl)-4-hydroxy-2-oxo-6-phenyl-2H-thiopyran-5-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(p-Chlorobenzyl)-4-hydroxy-2-oxo-6-phenyl-2H-thiopyran-5-carboxylic acid. Following Lipinski's Rule of Five, 3-(p-Chlorobenzyl)-4-hydroxy-2-oxo-6-phenyl-2H-thiopyran-5-carboxylic acid has 2 hydrogen bond donor(s) and 5 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 3-(p-Chlorobenzyl)-4-hydroxy-2-oxo-6-phenyl-2H-thiopyran-5-carboxylic acid?
The CAS number of 3-(p-Chlorobenzyl)-4-hydroxy-2-oxo-6-phenyl-2H-thiopyran-5-carboxylic acid is 22284-74-8.
What is the molecular formula of 3-(p-Chlorobenzyl)-4-hydroxy-2-oxo-6-phenyl-2H-thiopyran-5-carboxylic acid?
The molecular formula of 3-(p-Chlorobenzyl)-4-hydroxy-2-oxo-6-phenyl-2H-thiopyran-5-carboxylic acid is C19H13ClO4S.
What is the molecular weight of 3-(p-Chlorobenzyl)-4-hydroxy-2-oxo-6-phenyl-2H-thiopyran-5-carboxylic acid?
The molecular weight of 3-(p-Chlorobenzyl)-4-hydroxy-2-oxo-6-phenyl-2H-thiopyran-5-carboxylic acid is 372.02 g/mol.
Where can I buy 3-(p-Chlorobenzyl)-4-hydroxy-2-oxo-6-phenyl-2H-thiopyran-5-carboxylic acid?
You can request a quote for 3-(p-Chlorobenzyl)-4-hydroxy-2-oxo-6-phenyl-2H-thiopyran-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(p-Chlorobenzyl)-4-hydroxy-2-oxo-6-phenyl-2H-thiopyran-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(p-Chlorobenzyl)-4-hydroxy-2-oxo-6-phenyl-2H-thiopyran-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.