4-(Azepan-1-yl)-1,1-diphenylbut-2-yn-1-ol
TL;DR: 4-(Azepan-1-yl)-1,1-diphenylbut-2-yn-1-ol (CAS 374697-21-9) is a chemical compound with molecular formula C22H25NO and molecular weight 319.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(azepan-1-yl)-1,1-diphenylbut-2-yn-1-ol
Also Known As: 4-(azepan-1-yl)-1,1-diphenylbut-2-yn-1-ol, BAS 03391885, 4-(1-azepanyl)-1,1-diphenyl-2-butyn-1-ol, 4-Azepan-1-yl-1,1-diphenyl-but-2-yn-1-ol, AP-518/42286294
| Molecular Formula | C22H25NO |
|---|---|
| Molecular Weight | 319.19 g/mol |
| LogP | 3.8019 |
| Topological Polar Surface Area | 23.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.1936 |
| Heavy Atoms | 24 |
| Complexity | 636.6599 |
Chemical Identifiers
| CAS Number | 374697-21-9 |
|---|---|
| SMILES | C1CCCN(CC1)CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O |
Product Overview
4-(Azepan-1-yl)-1,1-diphenylbut-2-yn-1-ol (CAS 374697-21-9), with molecular formula C22H25NO and molecular weight 319.19 g/mol. IUPAC: 4-(azepan-1-yl)-1,1-diphenylbut-2-yn-1-ol.
Chemical Property Profile of 4-(Azepan-1-yl)-1,1-diphenylbut-2-yn-1-ol
Property Insights of 4-(Azepan-1-yl)-1,1-diphenylbut-2-yn-1-ol
The XLogP value of 3.8019 indicates that 4-(Azepan-1-yl)-1,1-diphenylbut-2-yn-1-ol 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)-1,1-diphenylbut-2-yn-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Azepan-1-yl)-1,1-diphenylbut-2-yn-1-ol 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)-1,1-diphenylbut-2-yn-1-ol?
The CAS number of 4-(Azepan-1-yl)-1,1-diphenylbut-2-yn-1-ol is 374697-21-9.
What is the molecular formula of 4-(Azepan-1-yl)-1,1-diphenylbut-2-yn-1-ol?
The molecular formula of 4-(Azepan-1-yl)-1,1-diphenylbut-2-yn-1-ol is C22H25NO.
What is the molecular weight of 4-(Azepan-1-yl)-1,1-diphenylbut-2-yn-1-ol?
The molecular weight of 4-(Azepan-1-yl)-1,1-diphenylbut-2-yn-1-ol is 319.19 g/mol.
Where can I buy 4-(Azepan-1-yl)-1,1-diphenylbut-2-yn-1-ol?
You can request a quote for 4-(Azepan-1-yl)-1,1-diphenylbut-2-yn-1-ol 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)-1,1-diphenylbut-2-yn-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-(Azepan-1-yl)-1,1-diphenylbut-2-yn-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.