![1-(4-Methyl-3-nitrophenyl)-3-(2-(trifluoromethyl)benzo[d][1,3]dioxol-2-yl)urea structure](/static/products/4520/452089-01-9.webp)
1-(4-Methyl-3-nitrophenyl)-3-(2-(trifluoromethyl)benzo[d][1,3]dioxol-2-yl)urea
TL;DR: 1-(4-Methyl-3-nitrophenyl)-3-(2-(trifluoromethyl)benzo[d][1,3]dioxol-2-yl)urea (CAS 452089-01-9) is a chemical compound with molecular formula C16H12F3N3O5 and molecular weight 383.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methyl-3-nitrophenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
Also Known As: F1023-0179, BRD-K31083258-001-01-1, 1-(4-methyl-3-nitrophenyl)-3-(2-(trifluoromethyl)benzo[d][1,3]dioxol-2-yl)urea, 1-(4-methyl-3-nitrophenyl)-3-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea, 1-(4-methyl-3-nitrophenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
| Molecular Formula | C16H12F3N3O5 |
|---|---|
| Molecular Weight | 383.07 g/mol |
| LogP | 3.71222 |
| Topological Polar Surface Area | 102.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.0729 |
| Heavy Atoms | 27 |
| Complexity | 891.4141 |
Chemical Identifiers
| CAS Number | 452089-01-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)NC2(OC3=CC=CC=C3O2)C(F)(F)F)[N+](=O)[O-] |
Product Overview
1-(4-Methyl-3-nitrophenyl)-3-(2-(trifluoromethyl)benzo[d][1,3]dioxol-2-yl)urea (CAS 452089-01-9), with molecular formula C16H12F3N3O5 and molecular weight 383.07 g/mol. IUPAC: 1-(4-methyl-3-nitrophenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea.
Chemical Property Profile of 1-(4-Methyl-3-nitrophenyl)-3-(2-(trifluoromethyl)benzo[d][1,3]dioxol-2-yl)urea
Property Insights of 1-(4-Methyl-3-nitrophenyl)-3-(2-(trifluoromethyl)benzo[d][1,3]dioxol-2-yl)urea
The XLogP value of 3.71222 indicates that 1-(4-Methyl-3-nitrophenyl)-3-(2-(trifluoromethyl)benzo[d][1,3]dioxol-2-yl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methyl-3-nitrophenyl)-3-(2-(trifluoromethyl)benzo[d][1,3]dioxol-2-yl)urea. Following Lipinski's Rule of Five, 1-(4-Methyl-3-nitrophenyl)-3-(2-(trifluoromethyl)benzo[d][1,3]dioxol-2-yl)urea has 2 hydrogen bond donor(s) and 5 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-(4-Methyl-3-nitrophenyl)-3-(2-(trifluoromethyl)benzo[d][1,3]dioxol-2-yl)urea?
The CAS number of 1-(4-Methyl-3-nitrophenyl)-3-(2-(trifluoromethyl)benzo[d][1,3]dioxol-2-yl)urea is 452089-01-9.
What is the molecular formula of 1-(4-Methyl-3-nitrophenyl)-3-(2-(trifluoromethyl)benzo[d][1,3]dioxol-2-yl)urea?
The molecular formula of 1-(4-Methyl-3-nitrophenyl)-3-(2-(trifluoromethyl)benzo[d][1,3]dioxol-2-yl)urea is C16H12F3N3O5.
What is the molecular weight of 1-(4-Methyl-3-nitrophenyl)-3-(2-(trifluoromethyl)benzo[d][1,3]dioxol-2-yl)urea?
The molecular weight of 1-(4-Methyl-3-nitrophenyl)-3-(2-(trifluoromethyl)benzo[d][1,3]dioxol-2-yl)urea is 383.07 g/mol.
Where can I buy 1-(4-Methyl-3-nitrophenyl)-3-(2-(trifluoromethyl)benzo[d][1,3]dioxol-2-yl)urea?
You can request a quote for 1-(4-Methyl-3-nitrophenyl)-3-(2-(trifluoromethyl)benzo[d][1,3]dioxol-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-(4-Methyl-3-nitrophenyl)-3-(2-(trifluoromethyl)benzo[d][1,3]dioxol-2-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methyl-3-nitrophenyl)-3-(2-(trifluoromethyl)benzo[d][1,3]dioxol-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.