![1-[(3E)-3-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)isoindol-1-yl]-3-(4-methylphenyl)urea structure](/static/products/7753/775315-45-2.webp)
1-[(3E)-3-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)isoindol-1-yl]-3-(4-methylphenyl)urea
TL;DR: 1-[(3E)-3-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)isoindol-1-yl]-3-(4-methylphenyl)urea (CAS 775315-45-2) is a chemical compound with molecular formula C23H21N5O2 and molecular weight 399.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3E)-3-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)isoindol-1-yl]-3-(4-methylphenyl)urea
Also Known As: 1-[(3E)-3-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)isoindol-1-yl]-3-(4-methylphenyl)urea, 3-{1-[1-cyano-2-oxo-2-(pyrrolidin-1-yl)ethylidene]-1H-isoindol-3-yl}-1-(4-methylphenyl)urea
| Molecular Formula | C23H21N5O2 |
|---|---|
| Molecular Weight | 399.17 g/mol |
| LogP | 3.434 |
| Topological Polar Surface Area | 97.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 399.16953 |
| Heavy Atoms | 30 |
| Complexity | 1103.1586 |
Chemical Identifiers
| CAS Number | 775315-45-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)NC2=N/C(=C(\C#N)/C(=O)N3CCCC3)/C4=CC=CC=C42 |
Product Overview
1-[(3E)-3-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)isoindol-1-yl]-3-(4-methylphenyl)urea (CAS 775315-45-2), with molecular formula C23H21N5O2 and molecular weight 399.17 g/mol. IUPAC: 1-[(3E)-3-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)isoindol-1-yl]-3-(4-methylphenyl)urea.
Chemical Property Profile of 1-[(3E)-3-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)isoindol-1-yl]-3-(4-methylphenyl)urea
Property Insights of 1-[(3E)-3-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)isoindol-1-yl]-3-(4-methylphenyl)urea
The XLogP value of 3.434 indicates that 1-[(3E)-3-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)isoindol-1-yl]-3-(4-methylphenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(3E)-3-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)isoindol-1-yl]-3-(4-methylphenyl)urea. Following Lipinski's Rule of Five, 1-[(3E)-3-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)isoindol-1-yl]-3-(4-methylphenyl)urea 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 1-[(3E)-3-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)isoindol-1-yl]-3-(4-methylphenyl)urea?
The CAS number of 1-[(3E)-3-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)isoindol-1-yl]-3-(4-methylphenyl)urea is 775315-45-2.
What is the molecular formula of 1-[(3E)-3-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)isoindol-1-yl]-3-(4-methylphenyl)urea?
The molecular formula of 1-[(3E)-3-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)isoindol-1-yl]-3-(4-methylphenyl)urea is C23H21N5O2.
What is the molecular weight of 1-[(3E)-3-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)isoindol-1-yl]-3-(4-methylphenyl)urea?
The molecular weight of 1-[(3E)-3-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)isoindol-1-yl]-3-(4-methylphenyl)urea is 399.17 g/mol.
Where can I buy 1-[(3E)-3-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)isoindol-1-yl]-3-(4-methylphenyl)urea?
You can request a quote for 1-[(3E)-3-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)isoindol-1-yl]-3-(4-methylphenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3E)-3-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)isoindol-1-yl]-3-(4-methylphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3E)-3-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)isoindol-1-yl]-3-(4-methylphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.