ethyl 2-((6-ethyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl)oxy)-3-methylbutanoate
TL;DR: ethyl 2-((6-ethyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl)oxy)-3-methylbutanoate (CAS 313253-43-9) is a chemical compound with molecular formula C21H23NO5S and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[6-ethyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl]oxy-3-methylbutanoate
Also Known As: ethyl 2-((6-ethyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl)oxy)-3-methylbutanoate, ethyl 2-[6-ethyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl]oxy-3-methylbutanoate, ethyl 2-{[6-ethyl-4-oxo-3-(1,3-thiazol-4-yl)-4H-chromen-7-yl]oxy}-3-methylbutanoate
| Molecular Formula | C21H23NO5S |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 4.4454 |
| Topological Polar Surface Area | 78.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.1297 |
| Heavy Atoms | 28 |
| Complexity | 1023.19714 |
Chemical Identifiers
| CAS Number | 313253-43-9 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1OC(C(C)C)C(=O)OCC)OC=C(C2=O)C3=CSC=N3 |
Product Overview
ethyl 2-((6-ethyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl)oxy)-3-methylbutanoate (CAS 313253-43-9), with molecular formula C21H23NO5S and molecular weight 401.13 g/mol. IUPAC: ethyl 2-[6-ethyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl]oxy-3-methylbutanoate.
Chemical Property Profile of ethyl 2-((6-ethyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl)oxy)-3-methylbutanoate
Property Insights of ethyl 2-((6-ethyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl)oxy)-3-methylbutanoate
The XLogP value of 4.4454 indicates that ethyl 2-((6-ethyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl)oxy)-3-methylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-((6-ethyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl)oxy)-3-methylbutanoate. Following Lipinski's Rule of Five, ethyl 2-((6-ethyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl)oxy)-3-methylbutanoate 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 ethyl 2-((6-ethyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl)oxy)-3-methylbutanoate?
The CAS number of ethyl 2-((6-ethyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl)oxy)-3-methylbutanoate is 313253-43-9.
What is the molecular formula of ethyl 2-((6-ethyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl)oxy)-3-methylbutanoate?
The molecular formula of ethyl 2-((6-ethyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl)oxy)-3-methylbutanoate is C21H23NO5S.
What is the molecular weight of ethyl 2-((6-ethyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl)oxy)-3-methylbutanoate?
The molecular weight of ethyl 2-((6-ethyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl)oxy)-3-methylbutanoate is 401.13 g/mol.
Where can I buy ethyl 2-((6-ethyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl)oxy)-3-methylbutanoate?
You can request a quote for ethyl 2-((6-ethyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl)oxy)-3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-((6-ethyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl)oxy)-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-((6-ethyl-4-oxo-3-(thiazol-4-yl)-4H-chromen-7-yl)oxy)-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.