6-Hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylic acid
TL;DR: 6-Hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylic acid (CAS 20076-86-2) is a chemical compound with molecular formula C13H10O4S and molecular weight 262.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-2-methyl-4-oxo-5-phenylthiopyran-3-carboxylic acid
Also Known As: 4-Hydroxy-6-methyl-2-oxo-3-phenyl-2H-thiopyran-5-carboxylic acid, J1.574.350F, 3-Phenyl-4-hydroxy-5-carboxy-6-methyl-thia-alpha-pyron, 3-Phenyl-4-hydroxy-5-carboxy-6-methyl-thia-alpha-pyron [German], 2H-Thiopyran-5-carboxylic acid, 4-hydroxy-6-methyl-2-oxo-3-phenyl-
| Molecular Formula | C13H10O4S |
|---|---|
| Molecular Weight | 262.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.02997 |
| Heavy Atoms | 18 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 20076-86-2 |
|---|---|
| SMILES | CC1=C(C(=O)C(=C(S1)O)C2=CC=CC=C2)C(=O)O |
| InChIKey | YDTRHUZOOVJOAN-UHFFFAOYSA-N |
Product Overview
6-Hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylic acid (CAS 20076-86-2), with molecular formula C13H10O4S and molecular weight 262.03 g/mol. IUPAC: 6-hydroxy-2-methyl-4-oxo-5-phenylthiopyran-3-carboxylic acid.
Chemical Property Profile of 6-Hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylic acid
Property Insights of 6-Hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylic acid. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylic acid. Following Lipinski's Rule of Five, 6-Hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-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 6-Hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylic acid?
The CAS number of 6-Hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylic acid is 20076-86-2.
What is the molecular formula of 6-Hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylic acid?
The molecular formula of 6-Hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylic acid is C13H10O4S.
What is the molecular weight of 6-Hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylic acid?
The molecular weight of 6-Hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylic acid is 262.03 g/mol.
Where can I buy 6-Hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylic acid?
You can request a quote for 6-Hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.