![methyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}propanoate structure](/static/products/3147/314745-67-0.webp)
methyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}propanoate
TL;DR: methyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}propanoate (CAS 314745-67-0) is a chemical compound with molecular formula C23H21NO5S and molecular weight 423.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl]oxypropanoate
Also Known As: methyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}propanoate, F0380-0016, methyl 2-((3-(benzo[d]thiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl)oxy)propanoate, methyl 2-[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl]oxypropanoate, Methyl 2-(3-benzothiazol-2-yl-6-ethyl-2-methyl-4-oxo-chromen-7-yl)oxypropanoate
| Molecular Formula | C23H21NO5S |
|---|---|
| Molecular Weight | 423.11 g/mol |
| LogP | 4.88082 |
| Topological Polar Surface Area | 78.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.11404 |
| Heavy Atoms | 30 |
| Complexity | 1287.6656 |
Chemical Identifiers
| CAS Number | 314745-67-0 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1OC(C)C(=O)OC)OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C |
Product Overview
methyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}propanoate (CAS 314745-67-0), with molecular formula C23H21NO5S and molecular weight 423.11 g/mol. IUPAC: methyl 2-[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl]oxypropanoate.
Chemical Property Profile of methyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}propanoate
Property Insights of methyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}propanoate
The XLogP value of 4.88082 indicates that methyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}propanoate 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 methyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}propanoate. Following Lipinski's Rule of Five, methyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}propanoate 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 methyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}propanoate?
The CAS number of methyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}propanoate is 314745-67-0.
What is the molecular formula of methyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}propanoate?
The molecular formula of methyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}propanoate is C23H21NO5S.
What is the molecular weight of methyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}propanoate?
The molecular weight of methyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}propanoate is 423.11 g/mol.
Where can I buy methyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}propanoate?
You can request a quote for methyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.