Ethyl 5-benzyl-6-hydroxy-2-methyl-4-oxo-4H-thiopyran-3-carboxylate
TL;DR: Ethyl 5-benzyl-6-hydroxy-2-methyl-4-oxo-4H-thiopyran-3-carboxylate (CAS 2303-26-6) is a chemical compound with molecular formula C16H16O4S and molecular weight 304.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-benzyl-6-hydroxy-2-methyl-4-oxothiopyran-3-carboxylate
Also Known As: ethyl 5-benzyl-6-hydroxy-2-methyl-4-oxo-4h-thiopyran-3-carboxylate, 3-Benzyl-4-hydroxy-6-methyl-2-oxo-2H-thiopyran-5-carboxylic acid ethyl ester, 3-Benzyl-4-hydroxy-5-carbaethoxy-6-methyl-thia-alpha-pyron, 3-Benzyl-4-hydroxy-5-carbaethoxy-6-methyl-thia-alpha-pyron [German], 2H-Thiopyran-5-carboxylic acid, 3-benzyl-4-hydroxy-6-methyl-2-oxo-, ethyl ester
| Molecular Formula | C16H16O4S |
|---|---|
| Molecular Weight | 304.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.07693 |
| Heavy Atoms | 21 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 2303-26-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C(C1=O)CC2=CC=CC=C2)O)C |
| InChIKey | UUANKZSEHQRNGR-UHFFFAOYSA-N |
Product Overview
Ethyl 5-benzyl-6-hydroxy-2-methyl-4-oxo-4H-thiopyran-3-carboxylate (CAS 2303-26-6), with molecular formula C16H16O4S and molecular weight 304.08 g/mol. IUPAC: ethyl 5-benzyl-6-hydroxy-2-methyl-4-oxothiopyran-3-carboxylate.
Chemical Property Profile of Ethyl 5-benzyl-6-hydroxy-2-methyl-4-oxo-4H-thiopyran-3-carboxylate
Property Insights of Ethyl 5-benzyl-6-hydroxy-2-methyl-4-oxo-4H-thiopyran-3-carboxylate
The XLogP value of 3.3 indicates that Ethyl 5-benzyl-6-hydroxy-2-methyl-4-oxo-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 5-benzyl-6-hydroxy-2-methyl-4-oxo-4H-thiopyran-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-benzyl-6-hydroxy-2-methyl-4-oxo-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 5-benzyl-6-hydroxy-2-methyl-4-oxo-4H-thiopyran-3-carboxylate?
The CAS number of Ethyl 5-benzyl-6-hydroxy-2-methyl-4-oxo-4H-thiopyran-3-carboxylate is 2303-26-6.
What is the molecular formula of Ethyl 5-benzyl-6-hydroxy-2-methyl-4-oxo-4H-thiopyran-3-carboxylate?
The molecular formula of Ethyl 5-benzyl-6-hydroxy-2-methyl-4-oxo-4H-thiopyran-3-carboxylate is C16H16O4S.
What is the molecular weight of Ethyl 5-benzyl-6-hydroxy-2-methyl-4-oxo-4H-thiopyran-3-carboxylate?
The molecular weight of Ethyl 5-benzyl-6-hydroxy-2-methyl-4-oxo-4H-thiopyran-3-carboxylate is 304.08 g/mol.
Where can I buy Ethyl 5-benzyl-6-hydroxy-2-methyl-4-oxo-4H-thiopyran-3-carboxylate?
You can request a quote for Ethyl 5-benzyl-6-hydroxy-2-methyl-4-oxo-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 5-benzyl-6-hydroxy-2-methyl-4-oxo-4H-thiopyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-benzyl-6-hydroxy-2-methyl-4-oxo-4H-thiopyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.