2-(3,4-Diethoxyphenyl)azepane
TL;DR: 2-(3,4-Diethoxyphenyl)azepane (CAS 383131-22-4) is a chemical compound with molecular formula C16H25NO2 and molecular weight 263.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-diethoxyphenyl)azepane
Also Known As: 2-(3,4-diethoxyphenyl)azepane, 2-(3,4-Diethoxyphenyl)hexahydro-1H-azepine
| Molecular Formula | C16H25NO2 |
|---|---|
| Molecular Weight | 263.19 g/mol |
| LogP | 3.6887 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.18854 |
| Heavy Atoms | 19 |
| Complexity | 384.33536 |
Chemical Identifiers
| CAS Number | 383131-22-4 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2CCCCCN2)OCC |
Product Overview
2-(3,4-Diethoxyphenyl)azepane (CAS 383131-22-4), with molecular formula C16H25NO2 and molecular weight 263.19 g/mol. IUPAC: 2-(3,4-diethoxyphenyl)azepane.
Chemical Property Profile of 2-(3,4-Diethoxyphenyl)azepane
Property Insights of 2-(3,4-Diethoxyphenyl)azepane
The XLogP value of 3.6887 indicates that 2-(3,4-Diethoxyphenyl)azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.49 Ų, 2-(3,4-Diethoxyphenyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4-Diethoxyphenyl)azepane has 1 hydrogen bond donor(s) and 3 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-(3,4-Diethoxyphenyl)azepane?
The CAS number of 2-(3,4-Diethoxyphenyl)azepane is 383131-22-4.
What is the molecular formula of 2-(3,4-Diethoxyphenyl)azepane?
The molecular formula of 2-(3,4-Diethoxyphenyl)azepane is C16H25NO2.
What is the molecular weight of 2-(3,4-Diethoxyphenyl)azepane?
The molecular weight of 2-(3,4-Diethoxyphenyl)azepane is 263.19 g/mol.
Where can I buy 2-(3,4-Diethoxyphenyl)azepane?
You can request a quote for 2-(3,4-Diethoxyphenyl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-Diethoxyphenyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Diethoxyphenyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.