BIM-0017080.P001
TL;DR: BIM-0017080.P001 (CAS 420093-34-1) is a chemical compound with molecular formula C20H22FNO3S and molecular weight 375.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-fluorobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Also Known As: BIM-0017080.P001, ethyl 2-[(2-fluorobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, ethyl 2-{[(2-fluorophenyl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
| Molecular Formula | C20H22FNO3S |
|---|---|
| Molecular Weight | 375.13 g/mol |
| LogP | 4.9752 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.13043 |
| Heavy Atoms | 26 |
| Complexity | 815.3828 |
Chemical Identifiers
| CAS Number | 420093-34-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3=CC=CC=C3F |
Product Overview
BIM-0017080.P001 (CAS 420093-34-1), with molecular formula C20H22FNO3S and molecular weight 375.13 g/mol. IUPAC: ethyl 2-[(2-fluorobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate.
Chemical Property Profile of BIM-0017080.P001
Property Insights of BIM-0017080.P001
The XLogP value of 4.9752 indicates that BIM-0017080.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, BIM-0017080.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0017080.P001 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 BIM-0017080.P001?
The CAS number of BIM-0017080.P001 is 420093-34-1.
What is the molecular formula of BIM-0017080.P001?
The molecular formula of BIM-0017080.P001 is C20H22FNO3S.
What is the molecular weight of BIM-0017080.P001?
The molecular weight of BIM-0017080.P001 is 375.13 g/mol.
Where can I buy BIM-0017080.P001?
You can request a quote for BIM-0017080.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0017080.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0017080.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.