![1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea structure](/static/products/6649/664983-17-9.webp)
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
TL;DR: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea (CAS 664983-17-9) is a chemical compound with molecular formula C12H8ClF9N2O and molecular weight 402.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
Also Known As: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea, N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl]urea
| Molecular Formula | C12H8ClF9N2O |
|---|---|
| Molecular Weight | 402.02 g/mol |
| LogP | 5.3636 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 402.01816 |
| Heavy Atoms | 25 |
| Complexity | 637.45667 |
Chemical Identifiers
| CAS Number | 664983-17-9 |
|---|---|
| SMILES | CC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl |
Product Overview
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea (CAS 664983-17-9), with molecular formula C12H8ClF9N2O and molecular weight 402.02 g/mol. IUPAC: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea.
Chemical Property Profile of 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
Property Insights of 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
The XLogP value of 5.3636 indicates that 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea?
The CAS number of 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea is 664983-17-9.
What is the molecular formula of 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea?
The molecular formula of 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea is C12H8ClF9N2O.
What is the molecular weight of 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea?
The molecular weight of 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea is 402.02 g/mol.
Where can I buy 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea?
You can request a quote for 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.