2-(4-Chlorophenyl)azepane
TL;DR: 2-(4-Chlorophenyl)azepane (CAS 383129-18-8) is a chemical compound with molecular formula C12H16ClN and molecular weight 209.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)azepane
Also Known As: 2-(4-chlorophenyl)azepane, 2-TERT-BUTYLPHENOL, 2- -AZEPANE, 2-(4-CHLORO-PHENYL)-AZEPANE, 2-(4-chlorophenyl)azaperhydroepine
| Molecular Formula | C12H16ClN |
|---|---|
| Molecular Weight | 209.10 g/mol |
| LogP | 3.5447 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.09712 |
| Heavy Atoms | 14 |
| Complexity | 272.87814 |
Chemical Identifiers
| CAS Number | 383129-18-8 |
|---|---|
| SMILES | C1CCC(NCC1)C2=CC=C(C=C2)Cl |
Product Overview
2-(4-Chlorophenyl)azepane (CAS 383129-18-8), with molecular formula C12H16ClN and molecular weight 209.10 g/mol. IUPAC: 2-(4-chlorophenyl)azepane.
Chemical Property Profile of 2-(4-Chlorophenyl)azepane
Property Insights of 2-(4-Chlorophenyl)azepane
The XLogP value of 3.5447 indicates that 2-(4-Chlorophenyl)azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 2-(4-Chlorophenyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)azepane 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 2-(4-Chlorophenyl)azepane?
The CAS number of 2-(4-Chlorophenyl)azepane is 383129-18-8.
What is the molecular formula of 2-(4-Chlorophenyl)azepane?
The molecular formula of 2-(4-Chlorophenyl)azepane is C12H16ClN.
What is the molecular weight of 2-(4-Chlorophenyl)azepane?
The molecular weight of 2-(4-Chlorophenyl)azepane is 209.10 g/mol.
Where can I buy 2-(4-Chlorophenyl)azepane?
You can request a quote for 2-(4-Chlorophenyl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.