Hexahydro-1-(1-phenylcyclohexyl)-1H-azepine
TL;DR: Hexahydro-1-(1-phenylcyclohexyl)-1H-azepine (CAS 3381-88-2) is a chemical compound with molecular formula C18H27N and molecular weight 257.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-phenylcyclohexyl)azepane
Also Known As: 1-Pchhmi, 1- hexamethyleneimine, 1-(1-phenylcyclohexyl)azepane, 1-(1-Phenylcyclohexyl)hexamethyleneimine, 1H-Azepine, hexahydro-1-(1-phenylcyclohexyl)-
| Molecular Formula | C18H27N |
|---|---|
| Molecular Weight | 257.21 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.21436 |
| Heavy Atoms | 19 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 3381-88-2 |
|---|---|
| SMILES | C1CCCN(CC1)C2(CCCCC2)C3=CC=CC=C3 |
| InChIKey | VEDJSGPEAMLSIO-UHFFFAOYSA-N |
Product Overview
Hexahydro-1-(1-phenylcyclohexyl)-1H-azepine (CAS 3381-88-2), with molecular formula C18H27N and molecular weight 257.21 g/mol. IUPAC: 1-(1-phenylcyclohexyl)azepane.
Chemical Property Profile of Hexahydro-1-(1-phenylcyclohexyl)-1H-azepine
Property Insights of Hexahydro-1-(1-phenylcyclohexyl)-1H-azepine
The XLogP value of 4.0 indicates that Hexahydro-1-(1-phenylcyclohexyl)-1H-azepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, Hexahydro-1-(1-phenylcyclohexyl)-1H-azepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexahydro-1-(1-phenylcyclohexyl)-1H-azepine has 0 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 Hexahydro-1-(1-phenylcyclohexyl)-1H-azepine?
The CAS number of Hexahydro-1-(1-phenylcyclohexyl)-1H-azepine is 3381-88-2.
What is the molecular formula of Hexahydro-1-(1-phenylcyclohexyl)-1H-azepine?
The molecular formula of Hexahydro-1-(1-phenylcyclohexyl)-1H-azepine is C18H27N.
What is the molecular weight of Hexahydro-1-(1-phenylcyclohexyl)-1H-azepine?
The molecular weight of Hexahydro-1-(1-phenylcyclohexyl)-1H-azepine is 257.21 g/mol.
Where can I buy Hexahydro-1-(1-phenylcyclohexyl)-1H-azepine?
You can request a quote for Hexahydro-1-(1-phenylcyclohexyl)-1H-azepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydro-1-(1-phenylcyclohexyl)-1H-azepine?
Yes, KEHONG BIO provides custom synthesis services for Hexahydro-1-(1-phenylcyclohexyl)-1H-azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.