AB00666801-01
TL;DR: AB00666801-01 (CAS 307536-69-2) is a chemical compound with molecular formula C17H16FNO3S and molecular weight 333.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: AB00666801-01, ethyl 2-[(2-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, F0016-0714, ETHYL 2-(2-FLUOROBENZAMIDO)-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE, ethyl 2-(2-fluorobenzamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C17H16FNO3S |
|---|---|
| Molecular Weight | 333.08 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.0835 |
| Heavy Atoms | 23 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 307536-69-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC=CC=C3F |
| InChIKey | ISJJTDAMKHRHHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AB00666801-01 (CAS 307536-69-2), with molecular formula C17H16FNO3S and molecular weight 333.08 g/mol. IUPAC: ethyl 2-[(2-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of AB00666801-01
Property Insights of AB00666801-01
The XLogP value of 4.3 indicates that AB00666801-01 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 AB00666801-01. Following Lipinski's Rule of Five, AB00666801-01 has 1 hydrogen bond donor(s) and 5 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 AB00666801-01?
The CAS number of AB00666801-01 is 307536-69-2.
What is the molecular formula of AB00666801-01?
The molecular formula of AB00666801-01 is C17H16FNO3S.
What is the molecular weight of AB00666801-01?
The molecular weight of AB00666801-01 is 333.08 g/mol.
Where can I buy AB00666801-01?
You can request a quote for AB00666801-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00666801-01?
Yes, KEHONG BIO provides custom synthesis services for AB00666801-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.