![N-[1,1-bis(trifluoromethyl)propyl]-N'-(4-chlorobenzyl)urea structure](/static/products/7142/714210-80-7.webp)
N-[1,1-bis(trifluoromethyl)propyl]-N'-(4-chlorobenzyl)urea
TL;DR: N-[1,1-bis(trifluoromethyl)propyl]-N'-(4-chlorobenzyl)urea (CAS 714210-80-7) is a chemical compound with molecular formula C13H13ClF6N2O and molecular weight 362.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
Also Known As: N-[1,1-bis(trifluoromethyl)propyl]-N'-(4-chlorobenzyl)urea, 1-[(4-chlorophenyl)methyl]-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
| Molecular Formula | C13H13ClF6N2O |
|---|---|
| Molecular Weight | 362.06 g/mol |
| LogP | 4.4126 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.06207 |
| Heavy Atoms | 23 |
| Complexity | 526.8811 |
Chemical Identifiers
| CAS Number | 714210-80-7 |
|---|---|
| SMILES | CCC(C(F)(F)F)(C(F)(F)F)NC(=O)NCC1=CC=C(C=C1)Cl |
Product Overview
N-[1,1-bis(trifluoromethyl)propyl]-N'-(4-chlorobenzyl)urea (CAS 714210-80-7), with molecular formula C13H13ClF6N2O and molecular weight 362.06 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea.
Chemical Property Profile of N-[1,1-bis(trifluoromethyl)propyl]-N'-(4-chlorobenzyl)urea
Property Insights of N-[1,1-bis(trifluoromethyl)propyl]-N'-(4-chlorobenzyl)urea
The XLogP value of 4.4126 indicates that N-[1,1-bis(trifluoromethyl)propyl]-N'-(4-chlorobenzyl)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, N-[1,1-bis(trifluoromethyl)propyl]-N'-(4-chlorobenzyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[1,1-bis(trifluoromethyl)propyl]-N'-(4-chlorobenzyl)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 N-[1,1-bis(trifluoromethyl)propyl]-N'-(4-chlorobenzyl)urea?
The CAS number of N-[1,1-bis(trifluoromethyl)propyl]-N'-(4-chlorobenzyl)urea is 714210-80-7.
What is the molecular formula of N-[1,1-bis(trifluoromethyl)propyl]-N'-(4-chlorobenzyl)urea?
The molecular formula of N-[1,1-bis(trifluoromethyl)propyl]-N'-(4-chlorobenzyl)urea is C13H13ClF6N2O.
What is the molecular weight of N-[1,1-bis(trifluoromethyl)propyl]-N'-(4-chlorobenzyl)urea?
The molecular weight of N-[1,1-bis(trifluoromethyl)propyl]-N'-(4-chlorobenzyl)urea is 362.06 g/mol.
Where can I buy N-[1,1-bis(trifluoromethyl)propyl]-N'-(4-chlorobenzyl)urea?
You can request a quote for N-[1,1-bis(trifluoromethyl)propyl]-N'-(4-chlorobenzyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1,1-bis(trifluoromethyl)propyl]-N'-(4-chlorobenzyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-[1,1-bis(trifluoromethyl)propyl]-N'-(4-chlorobenzyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.