6-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl acetate
TL;DR: 6-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl acetate (CAS 66780-46-9) is a chemical compound with molecular formula C15H11NO4S and molecular weight 301.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl] acetate
Also Known As: 6-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl acetate, [6-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl] acetate, 6-methyl-4-oxo-3-(1,3-thiazol-4-yl)-4H-chromen-7-yl acetate
| Molecular Formula | C15H11NO4S |
|---|---|
| Molecular Weight | 301.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.0409 |
| Heavy Atoms | 21 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 66780-46-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1OC(=O)C)OC=C(C2=O)C3=CSC=N3 |
| InChIKey | NIUMVSRZNVAYFH-UHFFFAOYSA-N |
Product Overview
6-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl acetate (CAS 66780-46-9), with molecular formula C15H11NO4S and molecular weight 301.04 g/mol. IUPAC: [6-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl] acetate.
Chemical Property Profile of 6-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl acetate
Property Insights of 6-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl acetate. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl acetate. Following Lipinski's Rule of Five, 6-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl acetate has 0 hydrogen bond donor(s) and 6 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-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl acetate?
The CAS number of 6-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl acetate is 66780-46-9.
What is the molecular formula of 6-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl acetate?
The molecular formula of 6-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl acetate is C15H11NO4S.
What is the molecular weight of 6-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl acetate?
The molecular weight of 6-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl acetate is 301.04 g/mol.
Where can I buy 6-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl acetate?
You can request a quote for 6-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 6-methyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.