![3-butyl-1-{1-[1-cyano-2-oxo-2-(pyrrolidin-1-yl)ethylidene]-1H-isoindol-3-yl}urea structure](/static/products/7753/775315-22-5.webp)
3-butyl-1-{1-[1-cyano-2-oxo-2-(pyrrolidin-1-yl)ethylidene]-1H-isoindol-3-yl}urea
TL;DR: 3-butyl-1-{1-[1-cyano-2-oxo-2-(pyrrolidin-1-yl)ethylidene]-1H-isoindol-3-yl}urea (CAS 775315-22-5) is a chemical compound with molecular formula C20H23N5O2 and molecular weight 365.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-[(3E)-3-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)isoindol-1-yl]urea
Also Known As: 1-butyl-3-[(3E)-3-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)isoindol-1-yl]urea, 3-butyl-1-{1-[1-cyano-2-oxo-2-(pyrrolidin-1-yl)ethylidene]-1H-isoindol-3-yl}urea
| Molecular Formula | C20H23N5O2 |
|---|---|
| Molecular Weight | 365.19 g/mol |
| LogP | 2.40318 |
| Topological Polar Surface Area | 97.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.18518 |
| Heavy Atoms | 27 |
| Complexity | 844.1732 |
Chemical Identifiers
| CAS Number | 775315-22-5 |
|---|---|
| SMILES | CCCCNC(=O)NC1=N/C(=C(\C#N)/C(=O)N2CCCC2)/C3=CC=CC=C31 |
Product Overview
3-butyl-1-{1-[1-cyano-2-oxo-2-(pyrrolidin-1-yl)ethylidene]-1H-isoindol-3-yl}urea (CAS 775315-22-5), with molecular formula C20H23N5O2 and molecular weight 365.19 g/mol. IUPAC: 1-butyl-3-[(3E)-3-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)isoindol-1-yl]urea.
Chemical Property Profile of 3-butyl-1-{1-[1-cyano-2-oxo-2-(pyrrolidin-1-yl)ethylidene]-1H-isoindol-3-yl}urea
Property Insights of 3-butyl-1-{1-[1-cyano-2-oxo-2-(pyrrolidin-1-yl)ethylidene]-1H-isoindol-3-yl}urea
The XLogP value of 2.40318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-butyl-1-{1-[1-cyano-2-oxo-2-(pyrrolidin-1-yl)ethylidene]-1H-isoindol-3-yl}urea. The TPSA of 97.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-butyl-1-{1-[1-cyano-2-oxo-2-(pyrrolidin-1-yl)ethylidene]-1H-isoindol-3-yl}urea. Following Lipinski's Rule of Five, 3-butyl-1-{1-[1-cyano-2-oxo-2-(pyrrolidin-1-yl)ethylidene]-1H-isoindol-3-yl}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 3-butyl-1-{1-[1-cyano-2-oxo-2-(pyrrolidin-1-yl)ethylidene]-1H-isoindol-3-yl}urea?
The CAS number of 3-butyl-1-{1-[1-cyano-2-oxo-2-(pyrrolidin-1-yl)ethylidene]-1H-isoindol-3-yl}urea is 775315-22-5.
What is the molecular formula of 3-butyl-1-{1-[1-cyano-2-oxo-2-(pyrrolidin-1-yl)ethylidene]-1H-isoindol-3-yl}urea?
The molecular formula of 3-butyl-1-{1-[1-cyano-2-oxo-2-(pyrrolidin-1-yl)ethylidene]-1H-isoindol-3-yl}urea is C20H23N5O2.
What is the molecular weight of 3-butyl-1-{1-[1-cyano-2-oxo-2-(pyrrolidin-1-yl)ethylidene]-1H-isoindol-3-yl}urea?
The molecular weight of 3-butyl-1-{1-[1-cyano-2-oxo-2-(pyrrolidin-1-yl)ethylidene]-1H-isoindol-3-yl}urea is 365.19 g/mol.
Where can I buy 3-butyl-1-{1-[1-cyano-2-oxo-2-(pyrrolidin-1-yl)ethylidene]-1H-isoindol-3-yl}urea?
You can request a quote for 3-butyl-1-{1-[1-cyano-2-oxo-2-(pyrrolidin-1-yl)ethylidene]-1H-isoindol-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 3-butyl-1-{1-[1-cyano-2-oxo-2-(pyrrolidin-1-yl)ethylidene]-1H-isoindol-3-yl}urea?
Yes, KEHONG BIO provides custom synthesis services for 3-butyl-1-{1-[1-cyano-2-oxo-2-(pyrrolidin-1-yl)ethylidene]-1H-isoindol-3-yl}urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.