4-(Azepan-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol hydrochloride
TL;DR: 4-(Azepan-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol hydrochloride (CAS 474091-44-6) is a chemical compound with molecular formula C21H30ClNO and molecular weight 347.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(azepan-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol;hydrochloride
Also Known As: 4-(azepan-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol hydrochloride, 4-Azepan-1-yl-1-cyclopentyl-1-phenyl-but-2-yn-1-ol, 4-(azepan-1-yl)-1-cyclopentyl-1-phenyl-but-2-yn-1-ol Hydrochloride
| Molecular Formula | C21H30ClNO |
|---|---|
| Molecular Weight | 347.20 g/mol |
| LogP | 4.3656 |
| Topological Polar Surface Area | 23.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.2016 |
| Heavy Atoms | 24 |
| Complexity | 535.95233 |
Chemical Identifiers
| CAS Number | 474091-44-6 |
|---|---|
| SMILES | C1CCCN(CC1)CC#CC(C2CCCC2)(C3=CC=CC=C3)O.Cl |
Product Overview
4-(Azepan-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol hydrochloride (CAS 474091-44-6), with molecular formula C21H30ClNO and molecular weight 347.20 g/mol. IUPAC: 4-(azepan-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol;hydrochloride.
Chemical Property Profile of 4-(Azepan-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol hydrochloride
Property Insights of 4-(Azepan-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol hydrochloride
The XLogP value of 4.3656 indicates that 4-(Azepan-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.47 Ų, 4-(Azepan-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Azepan-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol hydrochloride has 1 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 4-(Azepan-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol hydrochloride?
The CAS number of 4-(Azepan-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol hydrochloride is 474091-44-6.
What is the molecular formula of 4-(Azepan-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol hydrochloride?
The molecular formula of 4-(Azepan-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol hydrochloride is C21H30ClNO.
What is the molecular weight of 4-(Azepan-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol hydrochloride?
The molecular weight of 4-(Azepan-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol hydrochloride is 347.20 g/mol.
Where can I buy 4-(Azepan-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol hydrochloride?
You can request a quote for 4-(Azepan-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Azepan-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(Azepan-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.