![N-(5-cyano-2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)-N'-phenylurea structure](/static/products/4782/478249-42-2.webp)
N-(5-cyano-2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)-N'-phenylurea
TL;DR: N-(5-cyano-2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)-N'-phenylurea (CAS 478249-42-2) is a chemical compound with molecular formula C21H14F3N3OS and molecular weight 413.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-cyano-2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]-3-phenylurea
Also Known As: 9R-0302, N-(5-cyano-2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)-N'-phenylurea, 1-[5-cyano-2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]-3-phenylurea, 3-(5-cyano-2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)-1-phenylurea
| Molecular Formula | C21H14F3N3OS |
|---|---|
| Molecular Weight | 413.08 g/mol |
| LogP | 6.37228 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.08096 |
| Heavy Atoms | 29 |
| Complexity | 1062.7567 |
Chemical Identifiers
| CAS Number | 478249-42-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C#N)SC3=CC=CC(=C3)C(F)(F)F |
Product Overview
N-(5-cyano-2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)-N'-phenylurea (CAS 478249-42-2), with molecular formula C21H14F3N3OS and molecular weight 413.08 g/mol. IUPAC: 1-[5-cyano-2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]-3-phenylurea.
Chemical Property Profile of N-(5-cyano-2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)-N'-phenylurea
Property Insights of N-(5-cyano-2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)-N'-phenylurea
The XLogP value of 6.37228 indicates that N-(5-cyano-2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)-N'-phenylurea 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-(5-cyano-2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)-N'-phenylurea. Following Lipinski's Rule of Five, N-(5-cyano-2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)-N'-phenylurea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(5-cyano-2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)-N'-phenylurea?
The CAS number of N-(5-cyano-2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)-N'-phenylurea is 478249-42-2.
What is the molecular formula of N-(5-cyano-2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)-N'-phenylurea?
The molecular formula of N-(5-cyano-2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)-N'-phenylurea is C21H14F3N3OS.
What is the molecular weight of N-(5-cyano-2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)-N'-phenylurea?
The molecular weight of N-(5-cyano-2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)-N'-phenylurea is 413.08 g/mol.
Where can I buy N-(5-cyano-2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)-N'-phenylurea?
You can request a quote for N-(5-cyano-2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)-N'-phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-cyano-2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)-N'-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for N-(5-cyano-2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)-N'-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.