![1,1-Diethyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]urea structure](/static/products/4037/4037-50-7.webp)
1,1-Diethyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]urea
TL;DR: 1,1-Diethyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]urea (CAS 4037-50-7) is a chemical compound with molecular formula C12H14F4N2O and molecular weight 278.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-diethyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]urea
Also Known As: 1,1-diethyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]urea, N,N-Diethyl-N'-[2-fluoro-6-(trifluoromethyl)phenyl]urea, (10,11-dihydro-5h-dibenzo[a,d]cyclohepten-5-yl)-acetic acid
| Molecular Formula | C12H14F4N2O |
|---|---|
| Molecular Weight | 278.10 g/mol |
| LogP | 3.7182 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.10422 |
| Heavy Atoms | 19 |
| Complexity | 455.53287 |
Chemical Identifiers
| CAS Number | 4037-50-7 |
|---|---|
| SMILES | CCN(CC)C(=O)NC1=C(C=CC=C1F)C(F)(F)F |
Product Overview
1,1-Diethyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]urea (CAS 4037-50-7), with molecular formula C12H14F4N2O and molecular weight 278.10 g/mol. IUPAC: 1,1-diethyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of 1,1-Diethyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]urea
Property Insights of 1,1-Diethyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]urea
The XLogP value of 3.7182 indicates that 1,1-Diethyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, 1,1-Diethyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Diethyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]urea has 1 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 1,1-Diethyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]urea?
The CAS number of 1,1-Diethyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]urea is 4037-50-7.
What is the molecular formula of 1,1-Diethyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]urea?
The molecular formula of 1,1-Diethyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]urea is C12H14F4N2O.
What is the molecular weight of 1,1-Diethyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]urea?
The molecular weight of 1,1-Diethyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]urea is 278.10 g/mol.
Where can I buy 1,1-Diethyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]urea?
You can request a quote for 1,1-Diethyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Diethyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Diethyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.