2-(3,5-Dimethylphenyl)azepane
TL;DR: 2-(3,5-Dimethylphenyl)azepane (CAS 383129-96-2) is a chemical compound with molecular formula C14H21N and molecular weight 203.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dimethylphenyl)azepane
Also Known As: 2-(3,5-dimethylphenyl)azepane, Tri-allate, 2- -AZEPANE, 2-(3,5-DIMETHYL-PHENYL)-AZEPANE, 1H-Azepine,2-(3,5-dimethylphenyl)hexahydro-
| Molecular Formula | C14H21N |
|---|---|
| Molecular Weight | 203.17 g/mol |
| LogP | 3.50814 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.1674 |
| Heavy Atoms | 15 |
| Complexity | 301.86063 |
Chemical Identifiers
| CAS Number | 383129-96-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C2CCCCCN2)C |
Product Overview
2-(3,5-Dimethylphenyl)azepane (CAS 383129-96-2), with molecular formula C14H21N and molecular weight 203.17 g/mol. IUPAC: 2-(3,5-dimethylphenyl)azepane.
Chemical Property Profile of 2-(3,5-Dimethylphenyl)azepane
Property Insights of 2-(3,5-Dimethylphenyl)azepane
The XLogP value of 3.50814 indicates that 2-(3,5-Dimethylphenyl)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-(3,5-Dimethylphenyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,5-Dimethylphenyl)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-(3,5-Dimethylphenyl)azepane?
The CAS number of 2-(3,5-Dimethylphenyl)azepane is 383129-96-2.
What is the molecular formula of 2-(3,5-Dimethylphenyl)azepane?
The molecular formula of 2-(3,5-Dimethylphenyl)azepane is C14H21N.
What is the molecular weight of 2-(3,5-Dimethylphenyl)azepane?
The molecular weight of 2-(3,5-Dimethylphenyl)azepane is 203.17 g/mol.
Where can I buy 2-(3,5-Dimethylphenyl)azepane?
You can request a quote for 2-(3,5-Dimethylphenyl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-Dimethylphenyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-Dimethylphenyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.