BAS 00839473
TL;DR: BAS 00839473 (CAS 301682-01-9) is a chemical compound with molecular formula C17H15ClN2O5S and molecular weight 394.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: BAS 00839473, BIM-0032755.P001, AF-399/37112020, ethyl 2-({4-chloro-3-nitrobenzoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C17H15ClN2O5S |
|---|---|
| Molecular Weight | 394.04 g/mol |
| LogP | 4.2274 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.03903 |
| Heavy Atoms | 26 |
| Complexity | 908.79846 |
Chemical Identifiers
| CAS Number | 301682-01-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
BAS 00839473 (CAS 301682-01-9), with molecular formula C17H15ClN2O5S and molecular weight 394.04 g/mol. IUPAC: ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of BAS 00839473
Property Insights of BAS 00839473
The XLogP value of 4.2274 indicates that BAS 00839473 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00839473. Following Lipinski's Rule of Five, BAS 00839473 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 00839473?
The CAS number of BAS 00839473 is 301682-01-9.
What is the molecular formula of BAS 00839473?
The molecular formula of BAS 00839473 is C17H15ClN2O5S.
What is the molecular weight of BAS 00839473?
The molecular weight of BAS 00839473 is 394.04 g/mol.
Where can I buy BAS 00839473?
You can request a quote for BAS 00839473 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00839473?
Yes, KEHONG BIO provides custom synthesis services for BAS 00839473 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.