Acetic acid, 2-(6-methyl-4-oxo-3-(thiazol-4-yl)-4H-1-benzopyran-7-yloxy)-, methyl ester
TL;DR: Acetic acid, 2-(6-methyl-4-oxo-3-(thiazol-4-yl)-4H-1-benzopyran-7-yloxy)-, methyl ester (CAS 82138-45-2) 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.
methyl 2-[6-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl]oxyacetate
Also Known As: Acetic acid, 2-(6-methyl-4-oxo-3-(thiazol-4-yl)-4H-1-benzopyran-7-yloxy)-, methyl ester, methyl 2-[6-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl]oxyacetate, 2-(6-Methyl-4-oxo-3-(thiazol-4-yl)-4H-1-benzopyran-7-yloxy)acetic acid methyl ester, AE-848/10578038, methyl{[6-methyl-4-oxo-3-(1,3-thiazol-4-yl)-4h-chromen-7-yl]oxy}acetate
| Molecular Formula | C16H13NO5S |
|---|---|
| Molecular Weight | 331.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.05145 |
| Heavy Atoms | 23 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 82138-45-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1OCC(=O)OC)OC=C(C2=O)C3=CSC=N3 |
| InChIKey | KBTPBSJQZAFHSF-UHFFFAOYSA-N |
Product Overview
Acetic acid, 2-(6-methyl-4-oxo-3-(thiazol-4-yl)-4H-1-benzopyran-7-yloxy)-, methyl ester (CAS 82138-45-2), with molecular formula C16H13NO5S and molecular weight 331.05 g/mol. IUPAC: methyl 2-[6-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl]oxyacetate.
Chemical Property Profile of Acetic acid, 2-(6-methyl-4-oxo-3-(thiazol-4-yl)-4H-1-benzopyran-7-yloxy)-, methyl ester
Property Insights of Acetic acid, 2-(6-methyl-4-oxo-3-(thiazol-4-yl)-4H-1-benzopyran-7-yloxy)-, methyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-(6-methyl-4-oxo-3-(thiazol-4-yl)-4H-1-benzopyran-7-yloxy)-, methyl ester. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, 2-(6-methyl-4-oxo-3-(thiazol-4-yl)-4H-1-benzopyran-7-yloxy)-, methyl ester. Following Lipinski's Rule of Five, Acetic acid, 2-(6-methyl-4-oxo-3-(thiazol-4-yl)-4H-1-benzopyran-7-yloxy)-, methyl ester has 0 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 Acetic acid, 2-(6-methyl-4-oxo-3-(thiazol-4-yl)-4H-1-benzopyran-7-yloxy)-, methyl ester?
The CAS number of Acetic acid, 2-(6-methyl-4-oxo-3-(thiazol-4-yl)-4H-1-benzopyran-7-yloxy)-, methyl ester is 82138-45-2.
What is the molecular formula of Acetic acid, 2-(6-methyl-4-oxo-3-(thiazol-4-yl)-4H-1-benzopyran-7-yloxy)-, methyl ester?
The molecular formula of Acetic acid, 2-(6-methyl-4-oxo-3-(thiazol-4-yl)-4H-1-benzopyran-7-yloxy)-, methyl ester is C16H13NO5S.
What is the molecular weight of Acetic acid, 2-(6-methyl-4-oxo-3-(thiazol-4-yl)-4H-1-benzopyran-7-yloxy)-, methyl ester?
The molecular weight of Acetic acid, 2-(6-methyl-4-oxo-3-(thiazol-4-yl)-4H-1-benzopyran-7-yloxy)-, methyl ester is 331.05 g/mol.
Where can I buy Acetic acid, 2-(6-methyl-4-oxo-3-(thiazol-4-yl)-4H-1-benzopyran-7-yloxy)-, methyl ester?
You can request a quote for Acetic acid, 2-(6-methyl-4-oxo-3-(thiazol-4-yl)-4H-1-benzopyran-7-yloxy)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-(6-methyl-4-oxo-3-(thiazol-4-yl)-4H-1-benzopyran-7-yloxy)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-(6-methyl-4-oxo-3-(thiazol-4-yl)-4H-1-benzopyran-7-yloxy)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.