![1-(3-Methylphenyl)-3-[4-(pentafluorophenoxy)phenyl]urea structure](/static/products/552/552285-08-2.png)
1-(3-Methylphenyl)-3-[4-(pentafluorophenoxy)phenyl]urea
TL;DR: 1-(3-Methylphenyl)-3-[4-(pentafluorophenoxy)phenyl]urea (CAS 552285-08-2) is a chemical compound with molecular formula C20H13F5N2O2 and molecular weight 408.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylphenyl)-3-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]urea
Also Known As: 1-(4-(perfluorophenoxy)phenyl)-3-(m-tolyl)urea, 1-(4-Pentafluorophenyloxy-phenyl)-3-m-tolyl-urea, 1-(3-methylphenyl)-3-[4-(pentafluorophenoxy)phenyl]urea, 1-(3-methylphenyl)-3-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]urea
| Molecular Formula | C20H13F5N2O2 |
|---|---|
| Molecular Weight | 408.09 g/mol |
| LogP | 6.12682 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.08972 |
| Heavy Atoms | 29 |
| Complexity | 1042.207 |
Chemical Identifiers
| CAS Number | 552285-08-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)OC3=C(C(=C(C(=C3F)F)F)F)F |
Product Overview
1-(3-Methylphenyl)-3-[4-(pentafluorophenoxy)phenyl]urea (CAS 552285-08-2), with molecular formula C20H13F5N2O2 and molecular weight 408.09 g/mol. IUPAC: 1-(3-methylphenyl)-3-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]urea.
Chemical Property Profile of 1-(3-Methylphenyl)-3-[4-(pentafluorophenoxy)phenyl]urea
Property Insights of 1-(3-Methylphenyl)-3-[4-(pentafluorophenoxy)phenyl]urea
The XLogP value of 6.12682 indicates that 1-(3-Methylphenyl)-3-[4-(pentafluorophenoxy)phenyl]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, 1-(3-Methylphenyl)-3-[4-(pentafluorophenoxy)phenyl]urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methylphenyl)-3-[4-(pentafluorophenoxy)phenyl]urea has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3-Methylphenyl)-3-[4-(pentafluorophenoxy)phenyl]urea?
The CAS number of 1-(3-Methylphenyl)-3-[4-(pentafluorophenoxy)phenyl]urea is 552285-08-2.
What is the molecular formula of 1-(3-Methylphenyl)-3-[4-(pentafluorophenoxy)phenyl]urea?
The molecular formula of 1-(3-Methylphenyl)-3-[4-(pentafluorophenoxy)phenyl]urea is C20H13F5N2O2.
What is the molecular weight of 1-(3-Methylphenyl)-3-[4-(pentafluorophenoxy)phenyl]urea?
The molecular weight of 1-(3-Methylphenyl)-3-[4-(pentafluorophenoxy)phenyl]urea is 408.09 g/mol.
Where can I buy 1-(3-Methylphenyl)-3-[4-(pentafluorophenoxy)phenyl]urea?
You can request a quote for 1-(3-Methylphenyl)-3-[4-(pentafluorophenoxy)phenyl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methylphenyl)-3-[4-(pentafluorophenoxy)phenyl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methylphenyl)-3-[4-(pentafluorophenoxy)phenyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.