4-(Diethylamino)-1,1-diphenylbut-2-yn-1-ol
TL;DR: 4-(Diethylamino)-1,1-diphenylbut-2-yn-1-ol (CAS 968-59-2) is a chemical compound with molecular formula C20H23NO and molecular weight 293.18 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
Also Known As: 4-(diethylamino)-1,1-diphenylbut-2-yn-1-ol, 4-(Diethylamino)-1,1-diphenyl-2-butyn-1-ol, 4-Diethylamino-1,1-diphenyl-but-2-yn-1-ol, 2-Butyn-1-ol, 4-(diethylamino)-1,1-diphenyl-, BAS 00355995
| Molecular Formula | C20H23NO |
|---|---|
| Molecular Weight | 293.18 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 293.17798 |
| Heavy Atoms | 22 |
| Complexity | 357.0 |
| Solubility | >44 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 968-59-2 |
|---|---|
| SMILES | CCN(CC)CC#CC(C1=CC=CC=C1)(C2=CC=CC=C2)O |
| InChIKey | JHRYGTLAOSZTOJ-UHFFFAOYSA-N |
Product Overview
4-(Diethylamino)-1,1-diphenylbut-2-yn-1-ol (CAS 968-59-2), with molecular formula C20H23NO and molecular weight 293.18 g/mol. IUPAC: 4-(diethylamino)-1,1-diphenylbut-2-yn-1-ol.
Chemical Property Profile of 4-(Diethylamino)-1,1-diphenylbut-2-yn-1-ol
Property Insights of 4-(Diethylamino)-1,1-diphenylbut-2-yn-1-ol
The XLogP value of 3.6 indicates that 4-(Diethylamino)-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 23.5 Ų, 4-(Diethylamino)-1,1-diphenylbut-2-yn-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Diethylamino)-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-(Diethylamino)-1,1-diphenylbut-2-yn-1-ol?
The CAS number of 4-(Diethylamino)-1,1-diphenylbut-2-yn-1-ol is 968-59-2.
What is the molecular formula of 4-(Diethylamino)-1,1-diphenylbut-2-yn-1-ol?
The molecular formula of 4-(Diethylamino)-1,1-diphenylbut-2-yn-1-ol is C20H23NO.
What is the molecular weight of 4-(Diethylamino)-1,1-diphenylbut-2-yn-1-ol?
The molecular weight of 4-(Diethylamino)-1,1-diphenylbut-2-yn-1-ol is 293.18 g/mol.
Where can I buy 4-(Diethylamino)-1,1-diphenylbut-2-yn-1-ol?
You can request a quote for 4-(Diethylamino)-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-(Diethylamino)-1,1-diphenylbut-2-yn-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-(Diethylamino)-1,1-diphenylbut-2-yn-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.