N-(2-cyano-3-fluorophenyl)-N'-(1,2,2-trichlorovinyl)urea
TL;DR: N-(2-cyano-3-fluorophenyl)-N'-(1,2,2-trichlorovinyl)urea (CAS 647824-12-2) is a chemical compound with molecular formula C10H5Cl3FN3O and molecular weight 306.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-cyano-3-fluorophenyl)-3-(1,2,2-trichloroethenyl)urea
Also Known As: N-(2-cyano-3-fluorophenyl)-N'-(1,2,2-trichlorovinyl)urea, 1-(2-cyano-3-fluorophenyl)-3-(1,2,2-trichloroethenyl)urea, 1-(2-cyano-3-fluorophenyl)-3-(trichloroethenyl)urea
| Molecular Formula | C10H5Cl3FN3O |
|---|---|
| Molecular Weight | 306.95 g/mol |
| LogP | 3.66188 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.9482 |
| Heavy Atoms | 18 |
| Complexity | 549.7891 |
Chemical Identifiers
| CAS Number | 647824-12-2 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)C#N)NC(=O)NC(=C(Cl)Cl)Cl |
Product Overview
N-(2-cyano-3-fluorophenyl)-N'-(1,2,2-trichlorovinyl)urea (CAS 647824-12-2), with molecular formula C10H5Cl3FN3O and molecular weight 306.95 g/mol. IUPAC: 1-(2-cyano-3-fluorophenyl)-3-(1,2,2-trichloroethenyl)urea.
Chemical Property Profile of N-(2-cyano-3-fluorophenyl)-N'-(1,2,2-trichlorovinyl)urea
Property Insights of N-(2-cyano-3-fluorophenyl)-N'-(1,2,2-trichlorovinyl)urea
The XLogP value of 3.66188 indicates that N-(2-cyano-3-fluorophenyl)-N'-(1,2,2-trichlorovinyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.92 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-cyano-3-fluorophenyl)-N'-(1,2,2-trichlorovinyl)urea. Following Lipinski's Rule of Five, N-(2-cyano-3-fluorophenyl)-N'-(1,2,2-trichlorovinyl)urea 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 N-(2-cyano-3-fluorophenyl)-N'-(1,2,2-trichlorovinyl)urea?
The CAS number of N-(2-cyano-3-fluorophenyl)-N'-(1,2,2-trichlorovinyl)urea is 647824-12-2.
What is the molecular formula of N-(2-cyano-3-fluorophenyl)-N'-(1,2,2-trichlorovinyl)urea?
The molecular formula of N-(2-cyano-3-fluorophenyl)-N'-(1,2,2-trichlorovinyl)urea is C10H5Cl3FN3O.
What is the molecular weight of N-(2-cyano-3-fluorophenyl)-N'-(1,2,2-trichlorovinyl)urea?
The molecular weight of N-(2-cyano-3-fluorophenyl)-N'-(1,2,2-trichlorovinyl)urea is 306.95 g/mol.
Where can I buy N-(2-cyano-3-fluorophenyl)-N'-(1,2,2-trichlorovinyl)urea?
You can request a quote for N-(2-cyano-3-fluorophenyl)-N'-(1,2,2-trichlorovinyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-cyano-3-fluorophenyl)-N'-(1,2,2-trichlorovinyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-(2-cyano-3-fluorophenyl)-N'-(1,2,2-trichlorovinyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.