But-2-enedioic acid;3-(1-cyclohexylpyrrolidin-3-yl)-1,1-diphenylurea
TL;DR: But-2-enedioic acid;3-(1-cyclohexylpyrrolidin-3-yl)-1,1-diphenylurea (CAS 20070-52-4) is a chemical compound with molecular formula C27H33N3O5 and molecular weight 479.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;3-(1-cyclohexylpyrrolidin-3-yl)-1,1-diphenylurea
Also Known As: 3-(1-Cyclohexyl-3-pyrrolidinyl)-1,1-diphenyl-urea fumarate
| Molecular Formula | C27H33N3O5 |
|---|---|
| Molecular Weight | 479.24 g/mol |
| LogP | 4.6531 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.24203 |
| Heavy Atoms | 35 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 20070-52-4 |
|---|---|
| SMILES | C1CCC(CC1)N2CCC(C2)NC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O |
| InChIKey | YXWXWVNAKPDSDJ-UHFFFAOYSA-N |
Product Overview
But-2-enedioic acid;3-(1-cyclohexylpyrrolidin-3-yl)-1,1-diphenylurea (CAS 20070-52-4), with molecular formula C27H33N3O5 and molecular weight 479.24 g/mol. IUPAC: but-2-enedioic acid;3-(1-cyclohexylpyrrolidin-3-yl)-1,1-diphenylurea.
Chemical Property Profile of But-2-enedioic acid;3-(1-cyclohexylpyrrolidin-3-yl)-1,1-diphenylurea
Property Insights of But-2-enedioic acid;3-(1-cyclohexylpyrrolidin-3-yl)-1,1-diphenylurea
The XLogP value of 4.6531 indicates that But-2-enedioic acid;3-(1-cyclohexylpyrrolidin-3-yl)-1,1-diphenylurea 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-(1-cyclohexylpyrrolidin-3-yl)-1,1-diphenylurea. Following Lipinski's Rule of Five, But-2-enedioic acid;3-(1-cyclohexylpyrrolidin-3-yl)-1,1-diphenylurea 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-(1-cyclohexylpyrrolidin-3-yl)-1,1-diphenylurea?
The CAS number of But-2-enedioic acid;3-(1-cyclohexylpyrrolidin-3-yl)-1,1-diphenylurea is 20070-52-4.
What is the molecular formula of But-2-enedioic acid;3-(1-cyclohexylpyrrolidin-3-yl)-1,1-diphenylurea?
The molecular formula of But-2-enedioic acid;3-(1-cyclohexylpyrrolidin-3-yl)-1,1-diphenylurea is C27H33N3O5.
What is the molecular weight of But-2-enedioic acid;3-(1-cyclohexylpyrrolidin-3-yl)-1,1-diphenylurea?
The molecular weight of But-2-enedioic acid;3-(1-cyclohexylpyrrolidin-3-yl)-1,1-diphenylurea is 479.24 g/mol.
Where can I buy But-2-enedioic acid;3-(1-cyclohexylpyrrolidin-3-yl)-1,1-diphenylurea?
You can request a quote for But-2-enedioic acid;3-(1-cyclohexylpyrrolidin-3-yl)-1,1-diphenylurea 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-(1-cyclohexylpyrrolidin-3-yl)-1,1-diphenylurea?
Yes, KEHONG BIO provides custom synthesis services for But-2-enedioic acid;3-(1-cyclohexylpyrrolidin-3-yl)-1,1-diphenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.