ethyl 5-hydroxy-7-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromene-2-carboxylate
TL;DR: ethyl 5-hydroxy-7-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromene-2-carboxylate (CAS 53452-94-1) is a chemical compound with molecular formula C16H13NO5S and molecular weight 331.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-hydroxy-7-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromene-2-carboxylate
Also Known As: ethyl 5-hydroxy-7-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromene-2-carboxylate, ethyl 5-hydroxy-7-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromene-2-carboxylate, ethyl 5-hydroxy-7-methyl-4-oxo-3-(1,3-thiazol-4-yl)-4H-chromene-2-carboxylate
| Molecular Formula | C16H13NO5S |
|---|---|
| Molecular Weight | 331.05 g/mol |
| LogP | 3.10722 |
| Topological Polar Surface Area | 89.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.05145 |
| Heavy Atoms | 23 |
| Complexity | 943.24927 |
Chemical Identifiers
| CAS Number | 53452-94-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=O)C2=C(C=C(C=C2O1)C)O)C3=CSC=N3 |
Product Overview
ethyl 5-hydroxy-7-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromene-2-carboxylate (CAS 53452-94-1), with molecular formula C16H13NO5S and molecular weight 331.05 g/mol. IUPAC: ethyl 5-hydroxy-7-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromene-2-carboxylate.
Chemical Property Profile of ethyl 5-hydroxy-7-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromene-2-carboxylate
Property Insights of ethyl 5-hydroxy-7-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromene-2-carboxylate
The XLogP value of 3.10722 indicates that ethyl 5-hydroxy-7-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-hydroxy-7-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromene-2-carboxylate. Following Lipinski's Rule of Five, ethyl 5-hydroxy-7-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromene-2-carboxylate has 1 hydrogen bond donor(s) and 7 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-hydroxy-7-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromene-2-carboxylate?
The CAS number of ethyl 5-hydroxy-7-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromene-2-carboxylate is 53452-94-1.
What is the molecular formula of ethyl 5-hydroxy-7-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromene-2-carboxylate?
The molecular formula of ethyl 5-hydroxy-7-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromene-2-carboxylate is C16H13NO5S.
What is the molecular weight of ethyl 5-hydroxy-7-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromene-2-carboxylate?
The molecular weight of ethyl 5-hydroxy-7-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromene-2-carboxylate is 331.05 g/mol.
Where can I buy ethyl 5-hydroxy-7-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromene-2-carboxylate?
You can request a quote for ethyl 5-hydroxy-7-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromene-2-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-hydroxy-7-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-hydroxy-7-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.