1-(2-Amino-1,2-dicyanovinyl)-3-phenylurea
TL;DR: 1-(2-Amino-1,2-dicyanovinyl)-3-phenylurea (CAS 51802-29-0) is a chemical compound with molecular formula C11H9N5O and molecular weight 227.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-amino-1,2-dicyanoethenyl)-3-phenylurea
Also Known As: 1-(2-amino-1,2-dicyanovinyl)-3-phenylurea, 1-(2-amino-1,2-dicyanoethenyl)-3-phenylurea, N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-phenylurea, 3-(2-amino-1,2-dicyano-ethenyl)-1-phenyl-urea
| Molecular Formula | C11H9N5O |
|---|---|
| Molecular Weight | 227.08 g/mol |
| LogP | 1.02556 |
| Topological Polar Surface Area | 114.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.0807 |
| Heavy Atoms | 17 |
| Complexity | 521.033 |
Chemical Identifiers
| CAS Number | 51802-29-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)NC(=C(C#N)N)C#N |
Product Overview
1-(2-Amino-1,2-dicyanovinyl)-3-phenylurea (CAS 51802-29-0), with molecular formula C11H9N5O and molecular weight 227.08 g/mol. IUPAC: 1-(2-amino-1,2-dicyanoethenyl)-3-phenylurea.
Chemical Property Profile of 1-(2-Amino-1,2-dicyanovinyl)-3-phenylurea
Property Insights of 1-(2-Amino-1,2-dicyanovinyl)-3-phenylurea
The XLogP value of 1.02556 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Amino-1,2-dicyanovinyl)-3-phenylurea. The TPSA of 114.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Amino-1,2-dicyanovinyl)-3-phenylurea. Following Lipinski's Rule of Five, 1-(2-Amino-1,2-dicyanovinyl)-3-phenylurea has 3 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-(2-Amino-1,2-dicyanovinyl)-3-phenylurea?
The CAS number of 1-(2-Amino-1,2-dicyanovinyl)-3-phenylurea is 51802-29-0.
What is the molecular formula of 1-(2-Amino-1,2-dicyanovinyl)-3-phenylurea?
The molecular formula of 1-(2-Amino-1,2-dicyanovinyl)-3-phenylurea is C11H9N5O.
What is the molecular weight of 1-(2-Amino-1,2-dicyanovinyl)-3-phenylurea?
The molecular weight of 1-(2-Amino-1,2-dicyanovinyl)-3-phenylurea is 227.08 g/mol.
Where can I buy 1-(2-Amino-1,2-dicyanovinyl)-3-phenylurea?
You can request a quote for 1-(2-Amino-1,2-dicyanovinyl)-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-Amino-1,2-dicyanovinyl)-3-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Amino-1,2-dicyanovinyl)-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.