![1-[(4-Chlorophenyl)methyl]azepane structure](/static/products/1123/112376-91-7.webp)
1-[(4-Chlorophenyl)methyl]azepane
TL;DR: 1-[(4-Chlorophenyl)methyl]azepane (CAS 112376-91-7) is a chemical compound with molecular formula C13H18ClN and molecular weight 223.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]azepane
Also Known As: 1-(4-chlorobenzyl)azepane, 1-[(4-chlorophenyl)methyl]azepane, Cambridge id 5257214
| Molecular Formula | C13H18ClN |
|---|---|
| Molecular Weight | 223.11 g/mol |
| LogP | 3.716 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.11278 |
| Heavy Atoms | 15 |
| Complexity | 285.90918 |
Chemical Identifiers
| CAS Number | 112376-91-7 |
|---|---|
| SMILES | C1CCCN(CC1)CC2=CC=C(C=C2)Cl |
Product Overview
1-[(4-Chlorophenyl)methyl]azepane (CAS 112376-91-7), with molecular formula C13H18ClN and molecular weight 223.11 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]azepane.
Chemical Property Profile of 1-[(4-Chlorophenyl)methyl]azepane
Property Insights of 1-[(4-Chlorophenyl)methyl]azepane
The XLogP value of 3.716 indicates that 1-[(4-Chlorophenyl)methyl]azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, 1-[(4-Chlorophenyl)methyl]azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(4-Chlorophenyl)methyl]azepane 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 1-[(4-Chlorophenyl)methyl]azepane?
The CAS number of 1-[(4-Chlorophenyl)methyl]azepane is 112376-91-7.
What is the molecular formula of 1-[(4-Chlorophenyl)methyl]azepane?
The molecular formula of 1-[(4-Chlorophenyl)methyl]azepane is C13H18ClN.
What is the molecular weight of 1-[(4-Chlorophenyl)methyl]azepane?
The molecular weight of 1-[(4-Chlorophenyl)methyl]azepane is 223.11 g/mol.
Where can I buy 1-[(4-Chlorophenyl)methyl]azepane?
You can request a quote for 1-[(4-Chlorophenyl)methyl]azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-Chlorophenyl)methyl]azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-Chlorophenyl)methyl]azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.