N,N'-Di-(m-trifluoromethylphenyl)urea
TL;DR: N,N'-Di-(m-trifluoromethylphenyl)urea (CAS 403-96-3) is a chemical compound with molecular formula C15H10F6N2O and molecular weight 348.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis[3-(trifluoromethyl)phenyl]urea
Also Known As: N,N'-Di-(m-trifluoromethylphenyl)urea, 1,3-Bis(3-(trifluoromethyl)phenyl)urea, 1,3-bis[3-(trifluoromethyl)phenyl]urea, 1,3Bis(3-Trifluoromethylphenyl)urea, N,N'-bis[3-(trifluoromethyl)phenyl]urea
| Molecular Formula | C15H10F6N2O |
|---|---|
| Molecular Weight | 348.07 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.06973 |
| Heavy Atoms | 24 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 403-96-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F)C(F)(F)F |
| InChIKey | ASUCRFVOBIZQSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N'-Di-(m-trifluoromethylphenyl)urea (CAS 403-96-3), with molecular formula C15H10F6N2O and molecular weight 348.07 g/mol. IUPAC: 1,3-bis[3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of N,N'-Di-(m-trifluoromethylphenyl)urea
Property Insights of N,N'-Di-(m-trifluoromethylphenyl)urea
The XLogP value of 4.8 indicates that N,N'-Di-(m-trifluoromethylphenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, N,N'-Di-(m-trifluoromethylphenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N'-Di-(m-trifluoromethylphenyl)urea has 2 hydrogen bond donor(s) and 7 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,N'-Di-(m-trifluoromethylphenyl)urea?
The CAS number of N,N'-Di-(m-trifluoromethylphenyl)urea is 403-96-3.
What is the molecular formula of N,N'-Di-(m-trifluoromethylphenyl)urea?
The molecular formula of N,N'-Di-(m-trifluoromethylphenyl)urea is C15H10F6N2O.
What is the molecular weight of N,N'-Di-(m-trifluoromethylphenyl)urea?
The molecular weight of N,N'-Di-(m-trifluoromethylphenyl)urea is 348.07 g/mol.
Where can I buy N,N'-Di-(m-trifluoromethylphenyl)urea?
You can request a quote for N,N'-Di-(m-trifluoromethylphenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-Di-(m-trifluoromethylphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N,N'-Di-(m-trifluoromethylphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.