3-Buten-2-one, 4,4-diphenyl-1-(1-pyrrolidinyl)-
TL;DR: 3-Buten-2-one, 4,4-diphenyl-1-(1-pyrrolidinyl)- (CAS 1976-54-1) 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.
4,4-diphenyl-1-pyrrolidin-1-ylbut-3-en-2-one
Also Known As: 4,4-Diphenyl-1-(1-pyrrolidinyl)-3-buten-2-one, 3-BUTEN-2-ONE, 4,4-DIPHENYL-1-(1-PYRROLIDINYL)-, 5-20-01-00286 (Beilstein Handbook Reference), 4,4-diphenyl-1-(pyrrolidin-1-yl)but-3-en-2-one, 4,4-diphenyl-1-pyrrolidin-1-ylbut-3-en-2-one
| Molecular Formula | C20H21NO |
|---|---|
| Molecular Weight | 291.16 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.16232 |
| Heavy Atoms | 22 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 1976-54-1 |
|---|---|
| SMILES | C1CCN(C1)CC(=O)C=C(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | YRSXLEZACFVLMW-UHFFFAOYSA-N |
Product Overview
3-Buten-2-one, 4,4-diphenyl-1-(1-pyrrolidinyl)- (CAS 1976-54-1), with molecular formula C20H21NO and molecular weight 291.16 g/mol. IUPAC: 4,4-diphenyl-1-pyrrolidin-1-ylbut-3-en-2-one.
Chemical Property Profile of 3-Buten-2-one, 4,4-diphenyl-1-(1-pyrrolidinyl)-
Property Insights of 3-Buten-2-one, 4,4-diphenyl-1-(1-pyrrolidinyl)-
The XLogP value of 4.5 indicates that 3-Buten-2-one, 4,4-diphenyl-1-(1-pyrrolidinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 3-Buten-2-one, 4,4-diphenyl-1-(1-pyrrolidinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-one, 4,4-diphenyl-1-(1-pyrrolidinyl)- has 0 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 3-Buten-2-one, 4,4-diphenyl-1-(1-pyrrolidinyl)-?
The CAS number of 3-Buten-2-one, 4,4-diphenyl-1-(1-pyrrolidinyl)- is 1976-54-1.
What is the molecular formula of 3-Buten-2-one, 4,4-diphenyl-1-(1-pyrrolidinyl)-?
The molecular formula of 3-Buten-2-one, 4,4-diphenyl-1-(1-pyrrolidinyl)- is C20H21NO.
What is the molecular weight of 3-Buten-2-one, 4,4-diphenyl-1-(1-pyrrolidinyl)-?
The molecular weight of 3-Buten-2-one, 4,4-diphenyl-1-(1-pyrrolidinyl)- is 291.16 g/mol.
Where can I buy 3-Buten-2-one, 4,4-diphenyl-1-(1-pyrrolidinyl)-?
You can request a quote for 3-Buten-2-one, 4,4-diphenyl-1-(1-pyrrolidinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-2-one, 4,4-diphenyl-1-(1-pyrrolidinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one, 4,4-diphenyl-1-(1-pyrrolidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.