1,3-Bis(4-nitro-2-(trifluoromethyl)phenyl)urea
TL;DR: 1,3-Bis(4-nitro-2-(trifluoromethyl)phenyl)urea (CAS 16588-84-4) is a chemical compound with molecular formula C15H8F6N4O5 and molecular weight 438.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis[4-nitro-2-(trifluoromethyl)phenyl]urea
Also Known As: 1,3-BIS(4-NITRO-2-(TRIFLUOROMETHYL)PHENYL)UREA, 1,3-bis[4-nitro-2-(trifluoromethyl)phenyl]urea, 665-449-2, RefChem:414007
| Molecular Formula | C15H8F6N4O5 |
|---|---|
| Molecular Weight | 438.04 g/mol |
| LogP | 5.1846 |
| Topological Polar Surface Area | 127.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.0399 |
| Heavy Atoms | 30 |
| Complexity | 942.05743 |
Chemical Identifiers
| CAS Number | 16588-84-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)NC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F |
Product Overview
1,3-Bis(4-nitro-2-(trifluoromethyl)phenyl)urea (CAS 16588-84-4), with molecular formula C15H8F6N4O5 and molecular weight 438.04 g/mol. IUPAC: 1,3-bis[4-nitro-2-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of 1,3-Bis(4-nitro-2-(trifluoromethyl)phenyl)urea
Property Insights of 1,3-Bis(4-nitro-2-(trifluoromethyl)phenyl)urea
The XLogP value of 5.1846 indicates that 1,3-Bis(4-nitro-2-(trifluoromethyl)phenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(4-nitro-2-(trifluoromethyl)phenyl)urea. Following Lipinski's Rule of Five, 1,3-Bis(4-nitro-2-(trifluoromethyl)phenyl)urea has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Bis(4-nitro-2-(trifluoromethyl)phenyl)urea?
The CAS number of 1,3-Bis(4-nitro-2-(trifluoromethyl)phenyl)urea is 16588-84-4.
What is the molecular formula of 1,3-Bis(4-nitro-2-(trifluoromethyl)phenyl)urea?
The molecular formula of 1,3-Bis(4-nitro-2-(trifluoromethyl)phenyl)urea is C15H8F6N4O5.
What is the molecular weight of 1,3-Bis(4-nitro-2-(trifluoromethyl)phenyl)urea?
The molecular weight of 1,3-Bis(4-nitro-2-(trifluoromethyl)phenyl)urea is 438.04 g/mol.
Where can I buy 1,3-Bis(4-nitro-2-(trifluoromethyl)phenyl)urea?
You can request a quote for 1,3-Bis(4-nitro-2-(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 1,3-Bis(4-nitro-2-(trifluoromethyl)phenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(4-nitro-2-(trifluoromethyl)phenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.