Urea, 3-butyl-1-(1-ethyl-3-pyrrolidinyl)-1-phenyl-, fumarate (1:1)
TL;DR: Urea, 3-butyl-1-(1-ethyl-3-pyrrolidinyl)-1-phenyl-, fumarate (1:1) (CAS 20070-55-7) is a chemical compound with molecular formula C21H31N3O5 and molecular weight 405.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;3-butyl-1-(1-ethylpyrrolidin-3-yl)-1-phenylurea
Also Known As: 3-Butyl-1-(1-ethyl-3-pyrrolidinyl)-1-phenyl-urea fumarate, Urea, 3-butyl-1-(1-ethyl-3-pyrrolidinyl)-1-phenyl-, fumarate (1:1), (E)-but-2-enedioic acid; 3-butyl-1-(1-ethylpyrrolidin-3-yl)-1-phenylurea, RefChem:1100802
| Molecular Formula | C21H31N3O5 |
|---|---|
| Molecular Weight | 405.23 g/mol |
| LogP | 2.8087 |
| Topological Polar Surface Area | 110.18 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 405.22638 |
| Heavy Atoms | 29 |
| Complexity | 662.15393 |
Chemical Identifiers
| CAS Number | 20070-55-7 |
|---|---|
| SMILES | CCCCNC(=O)N(C1CCN(C1)CC)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O |
Product Overview
Urea, 3-butyl-1-(1-ethyl-3-pyrrolidinyl)-1-phenyl-, fumarate (1:1) (CAS 20070-55-7), with molecular formula C21H31N3O5 and molecular weight 405.23 g/mol. IUPAC: (E)-but-2-enedioic acid;3-butyl-1-(1-ethylpyrrolidin-3-yl)-1-phenylurea.
Chemical Property Profile of Urea, 3-butyl-1-(1-ethyl-3-pyrrolidinyl)-1-phenyl-, fumarate (1:1)
Property Insights of Urea, 3-butyl-1-(1-ethyl-3-pyrrolidinyl)-1-phenyl-, fumarate (1:1)
The XLogP value of 2.8087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 3-butyl-1-(1-ethyl-3-pyrrolidinyl)-1-phenyl-, fumarate (1:1). The TPSA of 110.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, 3-butyl-1-(1-ethyl-3-pyrrolidinyl)-1-phenyl-, fumarate (1:1). Following Lipinski's Rule of Five, Urea, 3-butyl-1-(1-ethyl-3-pyrrolidinyl)-1-phenyl-, fumarate (1:1) has 3 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 Urea, 3-butyl-1-(1-ethyl-3-pyrrolidinyl)-1-phenyl-, fumarate (1:1)?
The CAS number of Urea, 3-butyl-1-(1-ethyl-3-pyrrolidinyl)-1-phenyl-, fumarate (1:1) is 20070-55-7.
What is the molecular formula of Urea, 3-butyl-1-(1-ethyl-3-pyrrolidinyl)-1-phenyl-, fumarate (1:1)?
The molecular formula of Urea, 3-butyl-1-(1-ethyl-3-pyrrolidinyl)-1-phenyl-, fumarate (1:1) is C21H31N3O5.
What is the molecular weight of Urea, 3-butyl-1-(1-ethyl-3-pyrrolidinyl)-1-phenyl-, fumarate (1:1)?
The molecular weight of Urea, 3-butyl-1-(1-ethyl-3-pyrrolidinyl)-1-phenyl-, fumarate (1:1) is 405.23 g/mol.
Where can I buy Urea, 3-butyl-1-(1-ethyl-3-pyrrolidinyl)-1-phenyl-, fumarate (1:1)?
You can request a quote for Urea, 3-butyl-1-(1-ethyl-3-pyrrolidinyl)-1-phenyl-, 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 Urea, 3-butyl-1-(1-ethyl-3-pyrrolidinyl)-1-phenyl-, fumarate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Urea, 3-butyl-1-(1-ethyl-3-pyrrolidinyl)-1-phenyl-, fumarate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.