1H-Azepine, hexahydro-1-(cyclohexylmethyl)-, hydrochloride
TL;DR: 1H-Azepine, hexahydro-1-(cyclohexylmethyl)-, hydrochloride (CAS 5005-81-2) is a chemical compound with molecular formula C13H26ClN and molecular weight 231.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(cyclohexylmethyl)azepan-1-ium chloride
Also Known As: 1-(cyclohexylmethyl)azepan-1-ium chloride, 1-(Cyclohexylmethyl)hexahydro-1H-azepine hydrochloride, 1H-AZEPINE, HEXAHYDRO-1-(CYCLOHEXYLMETHYL)-, HYDROCHLORIDE, RefChem:1057787
| Molecular Formula | C13H26ClN |
|---|---|
| Molecular Weight | 231.18 g/mol |
| LogP | -0.97 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.17538 |
| Heavy Atoms | 15 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 5005-81-2 |
|---|---|
| SMILES | C1CCC[NH+](CC1)CC2CCCCC2.[Cl-] |
| InChIKey | OLLAYUZHSKRKSU-UHFFFAOYSA-N |
Product Overview
1H-Azepine, hexahydro-1-(cyclohexylmethyl)-, hydrochloride (CAS 5005-81-2), with molecular formula C13H26ClN and molecular weight 231.18 g/mol. IUPAC: 1-(cyclohexylmethyl)azepan-1-ium chloride.
Chemical Property Profile of 1H-Azepine, hexahydro-1-(cyclohexylmethyl)-, hydrochloride
Property Insights of 1H-Azepine, hexahydro-1-(cyclohexylmethyl)-, hydrochloride
The XLogP value of -0.97 indicates that 1H-Azepine, hexahydro-1-(cyclohexylmethyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 4.4 Ų, 1H-Azepine, hexahydro-1-(cyclohexylmethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Azepine, hexahydro-1-(cyclohexylmethyl)-, hydrochloride 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 1H-Azepine, hexahydro-1-(cyclohexylmethyl)-, hydrochloride?
The CAS number of 1H-Azepine, hexahydro-1-(cyclohexylmethyl)-, hydrochloride is 5005-81-2.
What is the molecular formula of 1H-Azepine, hexahydro-1-(cyclohexylmethyl)-, hydrochloride?
The molecular formula of 1H-Azepine, hexahydro-1-(cyclohexylmethyl)-, hydrochloride is C13H26ClN.
What is the molecular weight of 1H-Azepine, hexahydro-1-(cyclohexylmethyl)-, hydrochloride?
The molecular weight of 1H-Azepine, hexahydro-1-(cyclohexylmethyl)-, hydrochloride is 231.18 g/mol.
Where can I buy 1H-Azepine, hexahydro-1-(cyclohexylmethyl)-, hydrochloride?
You can request a quote for 1H-Azepine, hexahydro-1-(cyclohexylmethyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Azepine, hexahydro-1-(cyclohexylmethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-Azepine, hexahydro-1-(cyclohexylmethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.