1-(2-Cyanoethyl)-3-phenylurea
TL;DR: 1-(2-Cyanoethyl)-3-phenylurea (CAS 2528-65-6) is a chemical compound with molecular formula C10H11N3O and molecular weight 189.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-cyanoethyl)-3-phenylurea
Also Known As: 1-(2-cyanoethyl)-3-phenylurea, N-(2-Cyanoethyl)-N'-phenylurea, KST-1B2275, Urea,1-(2-cyanoethyl)-3-phenyl, Urea, 1-(2-cyanoethyl)-3-phenyl-
| Molecular Formula | C10H11N3O |
|---|---|
| Molecular Weight | 189.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.09021 |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 2528-65-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)NCCC#N |
| InChIKey | OAEZUJCBJHUAQW-UHFFFAOYSA-N |
Product Overview
1-(2-Cyanoethyl)-3-phenylurea (CAS 2528-65-6), with molecular formula C10H11N3O and molecular weight 189.09 g/mol. IUPAC: 1-(2-cyanoethyl)-3-phenylurea.
Chemical Property Profile of 1-(2-Cyanoethyl)-3-phenylurea
Property Insights of 1-(2-Cyanoethyl)-3-phenylurea
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Cyanoethyl)-3-phenylurea. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Cyanoethyl)-3-phenylurea. Following Lipinski's Rule of Five, 1-(2-Cyanoethyl)-3-phenylurea has 2 hydrogen bond donor(s) and 2 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-(2-Cyanoethyl)-3-phenylurea?
The CAS number of 1-(2-Cyanoethyl)-3-phenylurea is 2528-65-6.
What is the molecular formula of 1-(2-Cyanoethyl)-3-phenylurea?
The molecular formula of 1-(2-Cyanoethyl)-3-phenylurea is C10H11N3O.
What is the molecular weight of 1-(2-Cyanoethyl)-3-phenylurea?
The molecular weight of 1-(2-Cyanoethyl)-3-phenylurea is 189.09 g/mol.
Where can I buy 1-(2-Cyanoethyl)-3-phenylurea?
You can request a quote for 1-(2-Cyanoethyl)-3-phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Cyanoethyl)-3-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Cyanoethyl)-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.