alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)-1-propyn-1-yl)benzenemethanol
TL;DR: alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)-1-propyn-1-yl)benzenemethanol (CAS 968-63-8) is a chemical compound with molecular formula C20H21NO and molecular weight 291.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-diphenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol
Also Known As: Butinoline, Butinolina, Butinolinum, Butinoline [INN], budifin
| Molecular Formula | C20H21NO |
|---|---|
| Molecular Weight | 291.16 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.16232 |
| Heavy Atoms | 22 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 968-63-8 |
|---|---|
| SMILES | C1CCN(C1)CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O |
| InChIKey | LWPXJPFOEPMIRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)-1-propyn-1-yl)benzenemethanol (CAS 968-63-8), with molecular formula C20H21NO and molecular weight 291.16 g/mol. IUPAC: 1,1-diphenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol.
Chemical Property Profile of alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)-1-propyn-1-yl)benzenemethanol
Property Insights of alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)-1-propyn-1-yl)benzenemethanol
The XLogP value of 3.3 indicates that alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)-1-propyn-1-yl)benzenemethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)-1-propyn-1-yl)benzenemethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)-1-propyn-1-yl)benzenemethanol 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 alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)-1-propyn-1-yl)benzenemethanol?
The CAS number of alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)-1-propyn-1-yl)benzenemethanol is 968-63-8.
What is the molecular formula of alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)-1-propyn-1-yl)benzenemethanol?
The molecular formula of alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)-1-propyn-1-yl)benzenemethanol is C20H21NO.
What is the molecular weight of alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)-1-propyn-1-yl)benzenemethanol?
The molecular weight of alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)-1-propyn-1-yl)benzenemethanol is 291.16 g/mol.
Where can I buy alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)-1-propyn-1-yl)benzenemethanol?
You can request a quote for alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)-1-propyn-1-yl)benzenemethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)-1-propyn-1-yl)benzenemethanol?
Yes, KEHONG BIO provides custom synthesis services for alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)-1-propyn-1-yl)benzenemethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.