(E)-3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
TL;DR: (E)-3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one (CAS 42174-45-8) is a chemical compound with molecular formula C13H13Cl2NO and molecular weight 269.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
Also Known As: 1-[3-(3,4-dichlorophenyl)acryloyl]pyrrolidine, (E)-3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one, (2E)-3-(3,4-dichlorophenyl)-1-pyrrolidinylprop-2-en-1-one, 3-(3,4-dichlorophenyl)-1-(pyrrolidin-1-yl)prop-2-en-1-one, (2E)-3-(3,4-dichlorophenyl)-1-(pyrrolidin-1-yl)prop-2-en-1-one
| Molecular Formula | C13H13Cl2NO |
|---|---|
| Molecular Weight | 269.04 g/mol |
| LogP | 3.629 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.0374 |
| Heavy Atoms | 17 |
| Complexity | 450.73273 |
Chemical Identifiers
| CAS Number | 42174-45-8 |
|---|---|
| SMILES | C1CCN(C1)C(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl |
Product Overview
(E)-3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one (CAS 42174-45-8), with molecular formula C13H13Cl2NO and molecular weight 269.04 g/mol. IUPAC: (E)-3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one.
Chemical Property Profile of (E)-3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
Property Insights of (E)-3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
The XLogP value of 3.629 indicates that (E)-3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, (E)-3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one has 0 hydrogen bond donor(s) and 1 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 (E)-3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one?
The CAS number of (E)-3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one is 42174-45-8.
What is the molecular formula of (E)-3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one?
The molecular formula of (E)-3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one is C13H13Cl2NO.
What is the molecular weight of (E)-3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one?
The molecular weight of (E)-3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one is 269.04 g/mol.
Where can I buy (E)-3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one?
You can request a quote for (E)-3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.