![ethyl 2-({[3-(2-oxo-2H-chromen-3-yl)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/844/844862-68-6.png)
ethyl 2-({[3-(2-oxo-2H-chromen-3-yl)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 2-({[3-(2-oxo-2H-chromen-3-yl)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 844862-68-6) is a chemical compound with molecular formula C27H23NO5S and molecular weight 473.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-(2-oxochromen-3-yl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-({[3-(2-oxo-2H-chromen-3-yl)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(3-(2-oxo-2H-chromen-3-yl)benzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[[3-(2-oxochromen-3-yl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Ethyl 2-[[3-(2-oxochromen-3-yl)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate, ethyl 2-{[3-(2-oxo-2H-chromen-3-yl)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C27H23NO5S |
|---|---|
| Molecular Weight | 473.13 g/mol |
| LogP | 5.8293 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.1297 |
| Heavy Atoms | 34 |
| Complexity | 1465.6545 |
Chemical Identifiers
| CAS Number | 844862-68-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O |
Product Overview
ethyl 2-({[3-(2-oxo-2H-chromen-3-yl)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 844862-68-6), with molecular formula C27H23NO5S and molecular weight 473.13 g/mol. IUPAC: ethyl 2-[[3-(2-oxochromen-3-yl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-({[3-(2-oxo-2H-chromen-3-yl)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 2-({[3-(2-oxo-2H-chromen-3-yl)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 5.8293 indicates that ethyl 2-({[3-(2-oxo-2H-chromen-3-yl)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-({[3-(2-oxo-2H-chromen-3-yl)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-({[3-(2-oxo-2H-chromen-3-yl)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-({[3-(2-oxo-2H-chromen-3-yl)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 2-({[3-(2-oxo-2H-chromen-3-yl)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 844862-68-6.
What is the molecular formula of ethyl 2-({[3-(2-oxo-2H-chromen-3-yl)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 2-({[3-(2-oxo-2H-chromen-3-yl)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C27H23NO5S.
What is the molecular weight of ethyl 2-({[3-(2-oxo-2H-chromen-3-yl)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 2-({[3-(2-oxo-2H-chromen-3-yl)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 473.13 g/mol.
Where can I buy ethyl 2-({[3-(2-oxo-2H-chromen-3-yl)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 2-({[3-(2-oxo-2H-chromen-3-yl)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-({[3-(2-oxo-2H-chromen-3-yl)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({[3-(2-oxo-2H-chromen-3-yl)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.