![1-(3-chloro-4-fluorophenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea structure](/static/products/339/339368-35-3.png)
1-(3-chloro-4-fluorophenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
TL;DR: 1-(3-chloro-4-fluorophenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea (CAS 339368-35-3) is a chemical compound with molecular formula C12H10ClF7N2O and molecular weight 366.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-fluorophenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
Also Known As: 1-(3-chloro-4-fluorophenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea, 1-(3-chloro-4-fluorophenyl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea
| Molecular Formula | C12H10ClF7N2O |
|---|---|
| Molecular Weight | 366.04 g/mol |
| LogP | 4.874 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.037 |
| Heavy Atoms | 23 |
| Complexity | 571.75244 |
Chemical Identifiers
| CAS Number | 339368-35-3 |
|---|---|
| SMILES | CCC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=CC(=C(C=C1)F)Cl |
Product Overview
1-(3-chloro-4-fluorophenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea (CAS 339368-35-3), with molecular formula C12H10ClF7N2O and molecular weight 366.04 g/mol. IUPAC: 1-(3-chloro-4-fluorophenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea.
Chemical Property Profile of 1-(3-chloro-4-fluorophenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
Property Insights of 1-(3-chloro-4-fluorophenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
The XLogP value of 4.874 indicates that 1-(3-chloro-4-fluorophenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-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-(3-chloro-4-fluorophenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-chloro-4-fluorophenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea has 2 hydrogen bond donor(s) and 1 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-(3-chloro-4-fluorophenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea?
The CAS number of 1-(3-chloro-4-fluorophenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea is 339368-35-3.
What is the molecular formula of 1-(3-chloro-4-fluorophenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea?
The molecular formula of 1-(3-chloro-4-fluorophenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea is C12H10ClF7N2O.
What is the molecular weight of 1-(3-chloro-4-fluorophenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea?
The molecular weight of 1-(3-chloro-4-fluorophenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea is 366.04 g/mol.
Where can I buy 1-(3-chloro-4-fluorophenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea?
You can request a quote for 1-(3-chloro-4-fluorophenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-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-(3-chloro-4-fluorophenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-chloro-4-fluorophenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.