Ethyl 6-hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylate
TL;DR: Ethyl 6-hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylate (CAS 23039-25-0) is a chemical compound with molecular formula C15H14O4S and molecular weight 290.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-hydroxy-2-methyl-4-oxo-5-phenylthiopyran-3-carboxylate
Also Known As: ethyl 6-hydroxy-2-methyl-4-oxo-5-phenyl-4h-thiopyran-3-carboxylate, 4-Hydroxy-6-methyl-2-oxo-3-phenyl-2H-thiopyran-5-carboxylic acid ethyl ester, 3-Phenyl-4-hydroxy-5-carbaethoxy-6-methyl-thia-alpha-pyron, 3-Phenyl-4-hydroxy-5-carbaethoxy-6-methyl-thia-alpha-pyron [German], 2H-Thiopyran-5-carboxylic acid, 4-hydroxy-6-methyl-2-oxo-3-phenyl-, ethyl ester
| Molecular Formula | C15H14O4S |
|---|---|
| Molecular Weight | 290.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.06128 |
| Heavy Atoms | 20 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 23039-25-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C(C1=O)C2=CC=CC=C2)O)C |
| InChIKey | OZFCZAIGWQAZJC-UHFFFAOYSA-N |
Product Overview
Ethyl 6-hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylate (CAS 23039-25-0), with molecular formula C15H14O4S and molecular weight 290.06 g/mol. IUPAC: ethyl 6-hydroxy-2-methyl-4-oxo-5-phenylthiopyran-3-carboxylate.
Chemical Property Profile of Ethyl 6-hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylate
Property Insights of Ethyl 6-hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylate
The XLogP value of 3.0 indicates that Ethyl 6-hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 6-hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylate has 1 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 Ethyl 6-hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylate?
The CAS number of Ethyl 6-hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylate is 23039-25-0.
What is the molecular formula of Ethyl 6-hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylate?
The molecular formula of Ethyl 6-hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylate is C15H14O4S.
What is the molecular weight of Ethyl 6-hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylate?
The molecular weight of Ethyl 6-hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylate is 290.06 g/mol.
Where can I buy Ethyl 6-hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylate?
You can request a quote for Ethyl 6-hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.