But-2-enedioic acid;3-butyl-1-phenyl-1-(1-propan-2-ylpyrrolidin-3-yl)urea
TL;DR: But-2-enedioic acid;3-butyl-1-phenyl-1-(1-propan-2-ylpyrrolidin-3-yl)urea (CAS 20070-54-6) is a chemical compound with molecular formula C22H33N3O5 and molecular weight 419.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;3-butyl-1-phenyl-1-(1-propan-2-ylpyrrolidin-3-yl)urea
Also Known As: 3-Butyl-1-(1-isopropyl-3-pyrrolidinyl)-1-phenyl-urea fumarate, Urea, 3-butyl-1-(1-isopropyl-3-pyrrolidinyl)-1-phenyl-, fumarate (1:1)
| Molecular Formula | C22H33N3O5 |
|---|---|
| Molecular Weight | 419.24 g/mol |
| LogP | 3.1972 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 419.24203 |
| Heavy Atoms | 30 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 20070-54-6 |
|---|---|
| SMILES | CCCCNC(=O)N(C1CCN(C1)C(C)C)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O |
| InChIKey | TXVCCEFHDJFHHF-UHFFFAOYSA-N |
Product Overview
But-2-enedioic acid;3-butyl-1-phenyl-1-(1-propan-2-ylpyrrolidin-3-yl)urea (CAS 20070-54-6), with molecular formula C22H33N3O5 and molecular weight 419.24 g/mol. IUPAC: but-2-enedioic acid;3-butyl-1-phenyl-1-(1-propan-2-ylpyrrolidin-3-yl)urea.
Chemical Property Profile of But-2-enedioic acid;3-butyl-1-phenyl-1-(1-propan-2-ylpyrrolidin-3-yl)urea
Property Insights of But-2-enedioic acid;3-butyl-1-phenyl-1-(1-propan-2-ylpyrrolidin-3-yl)urea
The XLogP value of 3.1972 indicates that But-2-enedioic acid;3-butyl-1-phenyl-1-(1-propan-2-ylpyrrolidin-3-yl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for But-2-enedioic acid;3-butyl-1-phenyl-1-(1-propan-2-ylpyrrolidin-3-yl)urea. Following Lipinski's Rule of Five, But-2-enedioic acid;3-butyl-1-phenyl-1-(1-propan-2-ylpyrrolidin-3-yl)urea has 3 hydrogen bond donor(s) and 6 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 But-2-enedioic acid;3-butyl-1-phenyl-1-(1-propan-2-ylpyrrolidin-3-yl)urea?
The CAS number of But-2-enedioic acid;3-butyl-1-phenyl-1-(1-propan-2-ylpyrrolidin-3-yl)urea is 20070-54-6.
What is the molecular formula of But-2-enedioic acid;3-butyl-1-phenyl-1-(1-propan-2-ylpyrrolidin-3-yl)urea?
The molecular formula of But-2-enedioic acid;3-butyl-1-phenyl-1-(1-propan-2-ylpyrrolidin-3-yl)urea is C22H33N3O5.
What is the molecular weight of But-2-enedioic acid;3-butyl-1-phenyl-1-(1-propan-2-ylpyrrolidin-3-yl)urea?
The molecular weight of But-2-enedioic acid;3-butyl-1-phenyl-1-(1-propan-2-ylpyrrolidin-3-yl)urea is 419.24 g/mol.
Where can I buy But-2-enedioic acid;3-butyl-1-phenyl-1-(1-propan-2-ylpyrrolidin-3-yl)urea?
You can request a quote for But-2-enedioic acid;3-butyl-1-phenyl-1-(1-propan-2-ylpyrrolidin-3-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for But-2-enedioic acid;3-butyl-1-phenyl-1-(1-propan-2-ylpyrrolidin-3-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for But-2-enedioic acid;3-butyl-1-phenyl-1-(1-propan-2-ylpyrrolidin-3-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.