BAS 00660544
TL;DR: BAS 00660544 (CAS 331947-33-2) is a chemical compound with molecular formula C20H17NO5S and molecular weight 383.08 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]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: BAS 00660544, ethyl 2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-[(2-oxochromene-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-(2-oxo-2H-chromene-3-amido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-(2-oxo-2H-chromene-3-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C20H17NO5S |
|---|---|
| Molecular Weight | 383.08 g/mol |
| LogP | 3.7722 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.08273 |
| Heavy Atoms | 27 |
| Complexity | 1111.2478 |
Chemical Identifiers
| CAS Number | 331947-33-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC4=CC=CC=C4OC3=O |
Product Overview
BAS 00660544 (CAS 331947-33-2), with molecular formula C20H17NO5S and molecular weight 383.08 g/mol. IUPAC: ethyl 2-[(2-oxochromene-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of BAS 00660544
Property Insights of BAS 00660544
The XLogP value of 3.7722 indicates that BAS 00660544 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 00660544. Following Lipinski's Rule of Five, BAS 00660544 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 00660544?
The CAS number of BAS 00660544 is 331947-33-2.
What is the molecular formula of BAS 00660544?
The molecular formula of BAS 00660544 is C20H17NO5S.
What is the molecular weight of BAS 00660544?
The molecular weight of BAS 00660544 is 383.08 g/mol.
Where can I buy BAS 00660544?
You can request a quote for BAS 00660544 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00660544?
Yes, KEHONG BIO provides custom synthesis services for BAS 00660544 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.