5-(azepan-1-ylsulfonyl)-N-(3-chloro-4-fluorophenyl)-2-fluorobenzamide
TL;DR: 5-(azepan-1-ylsulfonyl)-N-(3-chloro-4-fluorophenyl)-2-fluorobenzamide (CAS 451512-06-4) is a chemical compound with molecular formula C19H19ClF2N2O3S and molecular weight 428.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(azepan-1-ylsulfonyl)-N-(3-chloro-4-fluorophenyl)-2-fluorobenzamide
Also Known As: F0917-1429, 5-(azepan-1-ylsulfonyl)-N-(3-chloro-4-fluorophenyl)-2-fluorobenzamide, 5-(azepane-1-sulfonyl)-N-(3-chloro-4-fluorophenyl)-2-fluorobenzamide, 5-(azepan-1-ylsulfonyl)-N-(3-chloro-4-fluoro-phenyl)-2-fluoro-benzamide, 1-azepanyl-4-fluoro-3-(N-3-chloro-4-fluorophenylcarbamoyl)phenyl(oxo)-lambda-sulfaniumolate
| Molecular Formula | C19H19ClF2N2O3S |
|---|---|
| Molecular Weight | 428.08 g/mol |
| LogP | 4.4352 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.0773 |
| Heavy Atoms | 28 |
| Complexity | 990.6684 |
Chemical Identifiers
| CAS Number | 451512-06-4 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)F)Cl |
Product Overview
5-(azepan-1-ylsulfonyl)-N-(3-chloro-4-fluorophenyl)-2-fluorobenzamide (CAS 451512-06-4), with molecular formula C19H19ClF2N2O3S and molecular weight 428.08 g/mol. IUPAC: 5-(azepan-1-ylsulfonyl)-N-(3-chloro-4-fluorophenyl)-2-fluorobenzamide.
Chemical Property Profile of 5-(azepan-1-ylsulfonyl)-N-(3-chloro-4-fluorophenyl)-2-fluorobenzamide
Property Insights of 5-(azepan-1-ylsulfonyl)-N-(3-chloro-4-fluorophenyl)-2-fluorobenzamide
The XLogP value of 4.4352 indicates that 5-(azepan-1-ylsulfonyl)-N-(3-chloro-4-fluorophenyl)-2-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(azepan-1-ylsulfonyl)-N-(3-chloro-4-fluorophenyl)-2-fluorobenzamide. Following Lipinski's Rule of Five, 5-(azepan-1-ylsulfonyl)-N-(3-chloro-4-fluorophenyl)-2-fluorobenzamide has 1 hydrogen bond donor(s) and 3 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 5-(azepan-1-ylsulfonyl)-N-(3-chloro-4-fluorophenyl)-2-fluorobenzamide?
The CAS number of 5-(azepan-1-ylsulfonyl)-N-(3-chloro-4-fluorophenyl)-2-fluorobenzamide is 451512-06-4.
What is the molecular formula of 5-(azepan-1-ylsulfonyl)-N-(3-chloro-4-fluorophenyl)-2-fluorobenzamide?
The molecular formula of 5-(azepan-1-ylsulfonyl)-N-(3-chloro-4-fluorophenyl)-2-fluorobenzamide is C19H19ClF2N2O3S.
What is the molecular weight of 5-(azepan-1-ylsulfonyl)-N-(3-chloro-4-fluorophenyl)-2-fluorobenzamide?
The molecular weight of 5-(azepan-1-ylsulfonyl)-N-(3-chloro-4-fluorophenyl)-2-fluorobenzamide is 428.08 g/mol.
Where can I buy 5-(azepan-1-ylsulfonyl)-N-(3-chloro-4-fluorophenyl)-2-fluorobenzamide?
You can request a quote for 5-(azepan-1-ylsulfonyl)-N-(3-chloro-4-fluorophenyl)-2-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(azepan-1-ylsulfonyl)-N-(3-chloro-4-fluorophenyl)-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 5-(azepan-1-ylsulfonyl)-N-(3-chloro-4-fluorophenyl)-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.