3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-yl acetate
TL;DR: 3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-yl acetate (CAS 57390-80-4) 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.
[3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl] acetate
Also Known As: IFLab1_000516, IDI1_008735, 3-(2-methylthiazol-4-yl)-4-oxo-4H-chromen-7-yl acetate, [3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl] acetate, 3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-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 | 57390-80-4 |
|---|---|
| SMILES | CC1=NC(=CS1)C2=COC3=C(C2=O)C=CC(=C3)OC(=O)C |
| InChIKey | ZINPLBKIFGCZCM-UHFFFAOYSA-N |
Product Overview
3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-yl acetate (CAS 57390-80-4), with molecular formula C15H11NO4S and molecular weight 301.04 g/mol. IUPAC: [3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl] acetate.
Chemical Property Profile of 3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-yl acetate
Property Insights of 3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-yl acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-yl acetate. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-yl acetate. Following Lipinski's Rule of Five, 3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-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 3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-yl acetate?
The CAS number of 3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-yl acetate is 57390-80-4.
What is the molecular formula of 3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-yl acetate?
The molecular formula of 3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-yl acetate is C15H11NO4S.
What is the molecular weight of 3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-yl acetate?
The molecular weight of 3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-yl acetate is 301.04 g/mol.
Where can I buy 3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-yl acetate?
You can request a quote for 3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-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 3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.