N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide
TL;DR: N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide (CAS 889403-67-2) is a chemical compound with molecular formula C13H16ClFN2O and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide
Also Known As: N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide, N-(3-chloro-4-fluoro-phenyl)azepane-1-carboxamide, azaperhydroepinyl-N-(3-chloro-4-fluorophenyl)carboxamide
| Molecular Formula | C13H16ClFN2O |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 3.887 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.0935 |
| Heavy Atoms | 18 |
| Complexity | 430.99945 |
Chemical Identifiers
| CAS Number | 889403-67-2 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)NC2=CC(=C(C=C2)F)Cl |
Product Overview
N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide (CAS 889403-67-2), with molecular formula C13H16ClFN2O and molecular weight 270.09 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide.
Chemical Property Profile of N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide
Property Insights of N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide
The XLogP value of 3.887 indicates that N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide has 1 hydrogen bond donor(s) and 1 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 N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide?
The CAS number of N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide is 889403-67-2.
What is the molecular formula of N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide?
The molecular formula of N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide is C13H16ClFN2O.
What is the molecular weight of N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide?
The molecular weight of N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide is 270.09 g/mol.
Where can I buy N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide?
You can request a quote for N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.