![2-[(2-Chlorophenyl)methyl]azepane structure](/static/products/6884/68841-13-4.webp)
2-[(2-Chlorophenyl)methyl]azepane
TL;DR: 2-[(2-Chlorophenyl)methyl]azepane (CAS 68841-13-4) 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.
2-[(2-chlorophenyl)methyl]azepane
Also Known As: 2-[(2-chlorophenyl)methyl]azepane, 2-(2-Chlorobenzyl)azepane, 4-(3-methoxyphenoxy)aniline, HEXAHYDRO-2-[(2-CHLOROPHENYL)METHYL]-1H-AZEPINE
| Molecular Formula | C13H18ClN |
|---|---|
| Molecular Weight | 223.11 g/mol |
| LogP | 3.4147 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.11278 |
| Heavy Atoms | 15 |
| Complexity | 303.15918 |
Chemical Identifiers
| CAS Number | 68841-13-4 |
|---|---|
| SMILES | C1CCC(NCC1)CC2=CC=CC=C2Cl |
Product Overview
2-[(2-Chlorophenyl)methyl]azepane (CAS 68841-13-4), with molecular formula C13H18ClN and molecular weight 223.11 g/mol. IUPAC: 2-[(2-chlorophenyl)methyl]azepane.
Chemical Property Profile of 2-[(2-Chlorophenyl)methyl]azepane
Property Insights of 2-[(2-Chlorophenyl)methyl]azepane
The XLogP value of 3.4147 indicates that 2-[(2-Chlorophenyl)methyl]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-[(2-Chlorophenyl)methyl]azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-Chlorophenyl)methyl]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-[(2-Chlorophenyl)methyl]azepane?
The CAS number of 2-[(2-Chlorophenyl)methyl]azepane is 68841-13-4.
What is the molecular formula of 2-[(2-Chlorophenyl)methyl]azepane?
The molecular formula of 2-[(2-Chlorophenyl)methyl]azepane is C13H18ClN.
What is the molecular weight of 2-[(2-Chlorophenyl)methyl]azepane?
The molecular weight of 2-[(2-Chlorophenyl)methyl]azepane is 223.11 g/mol.
Where can I buy 2-[(2-Chlorophenyl)methyl]azepane?
You can request a quote for 2-[(2-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 2-[(2-Chlorophenyl)methyl]azepane?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Chlorophenyl)methyl]azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.