![1-[2-(4-Chloro-3,5-dimethylphenoxy)ethyl]azepane structure](/static/products/1002/1002600-99-8.webp)
1-[2-(4-Chloro-3,5-dimethylphenoxy)ethyl]azepane
TL;DR: 1-[2-(4-Chloro-3,5-dimethylphenoxy)ethyl]azepane (CAS 1002600-99-8) is a chemical compound with molecular formula C16H24ClNO and molecular weight 281.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]azepane
Also Known As: 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]azepane, 1-[2-(4-Chloro-3,5-dimethylphenoxy)ethyl]hexahydro-1H-azepine, 1-[2-(4-chloro-3,5-dimethyl-phenoxy)ethyl]azepane
| Molecular Formula | C16H24ClNO |
|---|---|
| Molecular Weight | 281.15 g/mol |
| LogP | 4.21164 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.15463 |
| Heavy Atoms | 19 |
| Complexity | 388.2051 |
Chemical Identifiers
| CAS Number | 1002600-99-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Cl)C)OCCN2CCCCCC2 |
Product Overview
1-[2-(4-Chloro-3,5-dimethylphenoxy)ethyl]azepane (CAS 1002600-99-8), with molecular formula C16H24ClNO and molecular weight 281.15 g/mol. IUPAC: 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]azepane.
Chemical Property Profile of 1-[2-(4-Chloro-3,5-dimethylphenoxy)ethyl]azepane
Property Insights of 1-[2-(4-Chloro-3,5-dimethylphenoxy)ethyl]azepane
The XLogP value of 4.21164 indicates that 1-[2-(4-Chloro-3,5-dimethylphenoxy)ethyl]azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.47 Ų, 1-[2-(4-Chloro-3,5-dimethylphenoxy)ethyl]azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-(4-Chloro-3,5-dimethylphenoxy)ethyl]azepane has 0 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 1-[2-(4-Chloro-3,5-dimethylphenoxy)ethyl]azepane?
The CAS number of 1-[2-(4-Chloro-3,5-dimethylphenoxy)ethyl]azepane is 1002600-99-8.
What is the molecular formula of 1-[2-(4-Chloro-3,5-dimethylphenoxy)ethyl]azepane?
The molecular formula of 1-[2-(4-Chloro-3,5-dimethylphenoxy)ethyl]azepane is C16H24ClNO.
What is the molecular weight of 1-[2-(4-Chloro-3,5-dimethylphenoxy)ethyl]azepane?
The molecular weight of 1-[2-(4-Chloro-3,5-dimethylphenoxy)ethyl]azepane is 281.15 g/mol.
Where can I buy 1-[2-(4-Chloro-3,5-dimethylphenoxy)ethyl]azepane?
You can request a quote for 1-[2-(4-Chloro-3,5-dimethylphenoxy)ethyl]azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-(4-Chloro-3,5-dimethylphenoxy)ethyl]azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(4-Chloro-3,5-dimethylphenoxy)ethyl]azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.