BAS 00664479
TL;DR: BAS 00664479 (CAS 299953-35-8) is a chemical compound with molecular formula C17H16ClNO3S and molecular weight 349.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: BAS 00664479, AB00666800-01, ETHYL 2-(4-CHLOROBENZAMIDO)-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE, ethyl 2-[(4-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, F0016-0709
| Molecular Formula | C17H16ClNO3S |
|---|---|
| Molecular Weight | 349.05 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.05396 |
| Heavy Atoms | 23 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 299953-35-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC=C(C=C3)Cl |
| InChIKey | IEZDBNMRQJCBOE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
BAS 00664479 (CAS 299953-35-8), with molecular formula C17H16ClNO3S and molecular weight 349.05 g/mol. IUPAC: ethyl 2-[(4-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of BAS 00664479
Property Insights of BAS 00664479
The XLogP value of 4.9 indicates that BAS 00664479 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00664479. Following Lipinski's Rule of Five, BAS 00664479 has 1 hydrogen bond donor(s) and 4 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 00664479?
The CAS number of BAS 00664479 is 299953-35-8.
What is the molecular formula of BAS 00664479?
The molecular formula of BAS 00664479 is C17H16ClNO3S.
What is the molecular weight of BAS 00664479?
The molecular weight of BAS 00664479 is 349.05 g/mol.
Where can I buy BAS 00664479?
You can request a quote for BAS 00664479 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00664479?
Yes, KEHONG BIO provides custom synthesis services for BAS 00664479 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.