2-Butyn-1-ol, 4-(diethylamino)-1,1-diphenyl-, hydrochloride
TL;DR: 2-Butyn-1-ol, 4-(diethylamino)-1,1-diphenyl-, hydrochloride (CAS 968-60-5) is a chemical compound with molecular formula C20H24ClNO and molecular weight 329.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diethylamino)-1,1-diphenylbut-2-yn-1-ol;hydrochloride
Also Known As: 2-Butyn-1-ol, 4-(diethylamino)-1,1-diphenyl-, hydrochloride, 4-(Diethylamino)-1,1-diphenyl-2-butyn-1-ol hydrochloride, 4-(diethylamino)-1,1-diphenylbut-2-yn-1-ol;hydrochloride, Benzenemethanol, alpha-(3-(diethylamino)-1-propynyl)-alpha-phenyl-, hydrochloride, 4-(diethylamino)-1,1-diphenylbut-2-yn-1-ol hydrochloride
| Molecular Formula | C20H24ClNO |
|---|---|
| Molecular Weight | 329.15 g/mol |
| LogP | 3.69 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.15463 |
| Heavy Atoms | 23 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 968-60-5 |
|---|---|
| SMILES | CCN(CC)CC#CC(C1=CC=CC=C1)(C2=CC=CC=C2)O.Cl |
| InChIKey | XQBHHLCJWSWBAM-UHFFFAOYSA-N |
Product Overview
2-Butyn-1-ol, 4-(diethylamino)-1,1-diphenyl-, hydrochloride (CAS 968-60-5), with molecular formula C20H24ClNO and molecular weight 329.15 g/mol. IUPAC: 4-(diethylamino)-1,1-diphenylbut-2-yn-1-ol;hydrochloride.
Chemical Property Profile of 2-Butyn-1-ol, 4-(diethylamino)-1,1-diphenyl-, hydrochloride
Property Insights of 2-Butyn-1-ol, 4-(diethylamino)-1,1-diphenyl-, hydrochloride
The XLogP value of 3.69 indicates that 2-Butyn-1-ol, 4-(diethylamino)-1,1-diphenyl-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, 2-Butyn-1-ol, 4-(diethylamino)-1,1-diphenyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyn-1-ol, 4-(diethylamino)-1,1-diphenyl-, hydrochloride has 2 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 2-Butyn-1-ol, 4-(diethylamino)-1,1-diphenyl-, hydrochloride?
The CAS number of 2-Butyn-1-ol, 4-(diethylamino)-1,1-diphenyl-, hydrochloride is 968-60-5.
What is the molecular formula of 2-Butyn-1-ol, 4-(diethylamino)-1,1-diphenyl-, hydrochloride?
The molecular formula of 2-Butyn-1-ol, 4-(diethylamino)-1,1-diphenyl-, hydrochloride is C20H24ClNO.
What is the molecular weight of 2-Butyn-1-ol, 4-(diethylamino)-1,1-diphenyl-, hydrochloride?
The molecular weight of 2-Butyn-1-ol, 4-(diethylamino)-1,1-diphenyl-, hydrochloride is 329.15 g/mol.
Where can I buy 2-Butyn-1-ol, 4-(diethylamino)-1,1-diphenyl-, hydrochloride?
You can request a quote for 2-Butyn-1-ol, 4-(diethylamino)-1,1-diphenyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyn-1-ol, 4-(diethylamino)-1,1-diphenyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyn-1-ol, 4-(diethylamino)-1,1-diphenyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.