2-(5-Chloro-2-methoxyphenyl)azepane
TL;DR: 2-(5-Chloro-2-methoxyphenyl)azepane (CAS 383129-64-4) is a chemical compound with molecular formula C13H18ClNO and molecular weight 239.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-chloro-2-methoxyphenyl)azepane
Also Known As: 2-(5-chloro-2-methoxyphenyl)azepane, 2-(5-chloro-2-methoxy-phenyl)azepane, 2-(2-azepanyl)-4-chlorophenyl methyl ether, 2-(5-Chloro-2-methoxyphenyl)hexahydro-1H-azepine
| Molecular Formula | C13H18ClNO |
|---|---|
| Molecular Weight | 239.11 g/mol |
| LogP | 3.5533 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.1077 |
| Heavy Atoms | 16 |
| Complexity | 345.78586 |
Chemical Identifiers
| CAS Number | 383129-64-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)C2CCCCCN2 |
Product Overview
2-(5-Chloro-2-methoxyphenyl)azepane (CAS 383129-64-4), with molecular formula C13H18ClNO and molecular weight 239.11 g/mol. IUPAC: 2-(5-chloro-2-methoxyphenyl)azepane.
Chemical Property Profile of 2-(5-Chloro-2-methoxyphenyl)azepane
Property Insights of 2-(5-Chloro-2-methoxyphenyl)azepane
The XLogP value of 3.5533 indicates that 2-(5-Chloro-2-methoxyphenyl)azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, 2-(5-Chloro-2-methoxyphenyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-Chloro-2-methoxyphenyl)azepane has 1 hydrogen bond donor(s) and 2 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-(5-Chloro-2-methoxyphenyl)azepane?
The CAS number of 2-(5-Chloro-2-methoxyphenyl)azepane is 383129-64-4.
What is the molecular formula of 2-(5-Chloro-2-methoxyphenyl)azepane?
The molecular formula of 2-(5-Chloro-2-methoxyphenyl)azepane is C13H18ClNO.
What is the molecular weight of 2-(5-Chloro-2-methoxyphenyl)azepane?
The molecular weight of 2-(5-Chloro-2-methoxyphenyl)azepane is 239.11 g/mol.
Where can I buy 2-(5-Chloro-2-methoxyphenyl)azepane?
You can request a quote for 2-(5-Chloro-2-methoxyphenyl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Chloro-2-methoxyphenyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Chloro-2-methoxyphenyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.