2-(2,4-Difluorophenyl)azepane
TL;DR: 2-(2,4-Difluorophenyl)azepane (CAS 527673-79-6) is a chemical compound with molecular formula C12H15F2N and molecular weight 211.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-difluorophenyl)azepane
Also Known As: 2-(2,4-difluorophenyl)azepane, 1H-Azepine, 2-(2,4-difluorophenyl)hexahydro-
| Molecular Formula | C12H15F2N |
|---|---|
| Molecular Weight | 211.12 g/mol |
| LogP | 3.1695 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.11725 |
| Heavy Atoms | 15 |
| Complexity | 330.39404 |
Chemical Identifiers
| CAS Number | 527673-79-6 |
|---|---|
| SMILES | C1CCC(NCC1)C2=C(C=C(C=C2)F)F |
Product Overview
2-(2,4-Difluorophenyl)azepane (CAS 527673-79-6), with molecular formula C12H15F2N and molecular weight 211.12 g/mol. IUPAC: 2-(2,4-difluorophenyl)azepane.
Chemical Property Profile of 2-(2,4-Difluorophenyl)azepane
Property Insights of 2-(2,4-Difluorophenyl)azepane
The XLogP value of 3.1695 indicates that 2-(2,4-Difluorophenyl)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-(2,4-Difluorophenyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,4-Difluorophenyl)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-(2,4-Difluorophenyl)azepane?
The CAS number of 2-(2,4-Difluorophenyl)azepane is 527673-79-6.
What is the molecular formula of 2-(2,4-Difluorophenyl)azepane?
The molecular formula of 2-(2,4-Difluorophenyl)azepane is C12H15F2N.
What is the molecular weight of 2-(2,4-Difluorophenyl)azepane?
The molecular weight of 2-(2,4-Difluorophenyl)azepane is 211.12 g/mol.
Where can I buy 2-(2,4-Difluorophenyl)azepane?
You can request a quote for 2-(2,4-Difluorophenyl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4-Difluorophenyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-Difluorophenyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.