Propionanilide, N-(1-phenethyl-3-pyrrolidinyl)-, fumarate (1:1)
TL;DR: Propionanilide, N-(1-phenethyl-3-pyrrolidinyl)-, fumarate (1:1) (CAS 21787-61-1) is a chemical compound with molecular formula C25H30N2O5 and molecular weight 438.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
Also Known As: N-(1-Phenethyl-3-pyrrolidinyl)propionanilide fumarate (1:1), Propionanilide, N-(1-phenethyl-3-pyrrolidinyl)-, fumarate (1:1), 1-phenethyl-3-(N-phenylpropionamido)pyrolidine fumarate, (E)-but-2-enedioic acid; N-(1-phenethylpyrrolidin-3-yl)-N-phenylpropanamide, RefChem:1096951
| Molecular Formula | C25H30N2O5 |
|---|---|
| Molecular Weight | 438.22 g/mol |
| LogP | 3.4584 |
| Topological Polar Surface Area | 98.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.21548 |
| Heavy Atoms | 32 |
| Complexity | 883.063 |
Chemical Identifiers
| CAS Number | 21787-61-1 |
|---|---|
| SMILES | CCC(=O)N(C1CCN(C1)CCC2=CC=CC=C2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O |
Product Overview
Propionanilide, N-(1-phenethyl-3-pyrrolidinyl)-, fumarate (1:1) (CAS 21787-61-1), with molecular formula C25H30N2O5 and molecular weight 438.22 g/mol. IUPAC: (E)-but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]propanamide.
Chemical Property Profile of Propionanilide, N-(1-phenethyl-3-pyrrolidinyl)-, fumarate (1:1)
Property Insights of Propionanilide, N-(1-phenethyl-3-pyrrolidinyl)-, fumarate (1:1)
The XLogP value of 3.4584 indicates that Propionanilide, N-(1-phenethyl-3-pyrrolidinyl)-, fumarate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Propionanilide, N-(1-phenethyl-3-pyrrolidinyl)-, fumarate (1:1). Following Lipinski's Rule of Five, Propionanilide, N-(1-phenethyl-3-pyrrolidinyl)-, fumarate (1:1) has 2 hydrogen bond donor(s) and 4 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 Propionanilide, N-(1-phenethyl-3-pyrrolidinyl)-, fumarate (1:1)?
The CAS number of Propionanilide, N-(1-phenethyl-3-pyrrolidinyl)-, fumarate (1:1) is 21787-61-1.
What is the molecular formula of Propionanilide, N-(1-phenethyl-3-pyrrolidinyl)-, fumarate (1:1)?
The molecular formula of Propionanilide, N-(1-phenethyl-3-pyrrolidinyl)-, fumarate (1:1) is C25H30N2O5.
What is the molecular weight of Propionanilide, N-(1-phenethyl-3-pyrrolidinyl)-, fumarate (1:1)?
The molecular weight of Propionanilide, N-(1-phenethyl-3-pyrrolidinyl)-, fumarate (1:1) is 438.22 g/mol.
Where can I buy Propionanilide, N-(1-phenethyl-3-pyrrolidinyl)-, fumarate (1:1)?
You can request a quote for Propionanilide, N-(1-phenethyl-3-pyrrolidinyl)-, fumarate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propionanilide, N-(1-phenethyl-3-pyrrolidinyl)-, fumarate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Propionanilide, N-(1-phenethyl-3-pyrrolidinyl)-, fumarate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.