1H-Azepine, hexahydro-1-(2-(phenylsulfinyl)ethyl)-, hydrochloride
TL;DR: 1H-Azepine, hexahydro-1-(2-(phenylsulfinyl)ethyl)-, hydrochloride (CAS 69716-45-6) is a chemical compound with molecular formula C14H22ClNOS and molecular weight 287.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(benzenesulfinyl)ethyl]azepane;hydrochloride
Also Known As: CRL 40052, N-(2-(Phenylsulfinyl)ethyl)azepine hydrochloride, Hexahydro-1-(2-(phenylsulfinyl)ethyl)-1H-azepine hydrochloride, 1H-Azepine, hexahydro-1-(2-(phenylsulfinyl)ethyl)-, hydrochloride, 1-[2-(benzenesulfinyl)ethyl]azepane hydrochloride
| Molecular Formula | C14H22ClNOS |
|---|---|
| Molecular Weight | 287.11 g/mol |
| LogP | 3.092 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.11105 |
| Heavy Atoms | 18 |
| Complexity | 350.07144 |
Chemical Identifiers
| CAS Number | 69716-45-6 |
|---|---|
| SMILES | C1CCCN(CC1)CCS(=O)C2=CC=CC=C2.Cl |
Product Overview
1H-Azepine, hexahydro-1-(2-(phenylsulfinyl)ethyl)-, hydrochloride (CAS 69716-45-6), with molecular formula C14H22ClNOS and molecular weight 287.11 g/mol. IUPAC: 1-[2-(benzenesulfinyl)ethyl]azepane;hydrochloride.
Chemical Property Profile of 1H-Azepine, hexahydro-1-(2-(phenylsulfinyl)ethyl)-, hydrochloride
Property Insights of 1H-Azepine, hexahydro-1-(2-(phenylsulfinyl)ethyl)-, hydrochloride
The XLogP value of 3.092 indicates that 1H-Azepine, hexahydro-1-(2-(phenylsulfinyl)ethyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 1H-Azepine, hexahydro-1-(2-(phenylsulfinyl)ethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Azepine, hexahydro-1-(2-(phenylsulfinyl)ethyl)-, hydrochloride has 0 hydrogen bond donor(s) and 2 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-(2-(phenylsulfinyl)ethyl)-, hydrochloride?
The CAS number of 1H-Azepine, hexahydro-1-(2-(phenylsulfinyl)ethyl)-, hydrochloride is 69716-45-6.
What is the molecular formula of 1H-Azepine, hexahydro-1-(2-(phenylsulfinyl)ethyl)-, hydrochloride?
The molecular formula of 1H-Azepine, hexahydro-1-(2-(phenylsulfinyl)ethyl)-, hydrochloride is C14H22ClNOS.
What is the molecular weight of 1H-Azepine, hexahydro-1-(2-(phenylsulfinyl)ethyl)-, hydrochloride?
The molecular weight of 1H-Azepine, hexahydro-1-(2-(phenylsulfinyl)ethyl)-, hydrochloride is 287.11 g/mol.
Where can I buy 1H-Azepine, hexahydro-1-(2-(phenylsulfinyl)ethyl)-, hydrochloride?
You can request a quote for 1H-Azepine, hexahydro-1-(2-(phenylsulfinyl)ethyl)-, 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-(2-(phenylsulfinyl)ethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-Azepine, hexahydro-1-(2-(phenylsulfinyl)ethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.