Azepan-1-yl(2-chlorophenyl)methanone
TL;DR: Azepan-1-yl(2-chlorophenyl)methanone (CAS 21383-22-2) is a chemical compound with molecular formula C13H16ClNO and molecular weight 237.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-(2-chlorophenyl)methanone
Also Known As: azepan-1-yl(2-chlorophenyl)methanone, azepan-1-yl-(2-chlorophenyl)methanone, 1-(2-chlorobenzoyl)azepane, azaperhydroepinyl 2-chlorophenyl ketone, (Azepan-1-yl)(2-chlorophenyl)methanone
| Molecular Formula | C13H16ClNO |
|---|---|
| Molecular Weight | 237.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.09204 |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 21383-22-2 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2=CC=CC=C2Cl |
| InChIKey | SONJOLVUQSJDFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Azepan-1-yl(2-chlorophenyl)methanone (CAS 21383-22-2), with molecular formula C13H16ClNO and molecular weight 237.09 g/mol. IUPAC: azepan-1-yl-(2-chlorophenyl)methanone.
Chemical Property Profile of Azepan-1-yl(2-chlorophenyl)methanone
Property Insights of Azepan-1-yl(2-chlorophenyl)methanone
The XLogP value of 3.2 indicates that Azepan-1-yl(2-chlorophenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, Azepan-1-yl(2-chlorophenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azepan-1-yl(2-chlorophenyl)methanone has 0 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 Azepan-1-yl(2-chlorophenyl)methanone?
The CAS number of Azepan-1-yl(2-chlorophenyl)methanone is 21383-22-2.
What is the molecular formula of Azepan-1-yl(2-chlorophenyl)methanone?
The molecular formula of Azepan-1-yl(2-chlorophenyl)methanone is C13H16ClNO.
What is the molecular weight of Azepan-1-yl(2-chlorophenyl)methanone?
The molecular weight of Azepan-1-yl(2-chlorophenyl)methanone is 237.09 g/mol.
Where can I buy Azepan-1-yl(2-chlorophenyl)methanone?
You can request a quote for Azepan-1-yl(2-chlorophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azepan-1-yl(2-chlorophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Azepan-1-yl(2-chlorophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.