BAS 00660545
TL;DR: BAS 00660545 (CAS 301304-83-6) is a chemical compound with molecular formula C21H19NO5S and molecular weight 397.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-oxochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00660545, ethyl 2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2-oxo-2H-chromene-3-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2-oxo-2H-chromene-3-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[(2-oxochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H19NO5S |
|---|---|
| Molecular Weight | 397.10 g/mol |
| LogP | 4.1623 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.0984 |
| Heavy Atoms | 28 |
| Complexity | 1127.5166 |
Chemical Identifiers
| CAS Number | 301304-83-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC4=CC=CC=C4OC3=O |
Product Overview
BAS 00660545 (CAS 301304-83-6), with molecular formula C21H19NO5S and molecular weight 397.10 g/mol. IUPAC: ethyl 2-[(2-oxochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00660545
Property Insights of BAS 00660545
The XLogP value of 4.1623 indicates that BAS 00660545 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 BAS 00660545. Following Lipinski's Rule of Five, BAS 00660545 has 1 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 BAS 00660545?
The CAS number of BAS 00660545 is 301304-83-6.
What is the molecular formula of BAS 00660545?
The molecular formula of BAS 00660545 is C21H19NO5S.
What is the molecular weight of BAS 00660545?
The molecular weight of BAS 00660545 is 397.10 g/mol.
Where can I buy BAS 00660545?
You can request a quote for BAS 00660545 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00660545?
Yes, KEHONG BIO provides custom synthesis services for BAS 00660545 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.