![[1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate structure](/static/products/744/744264-59-3.png)
[1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate
TL;DR: [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate (CAS 744264-59-3) is a chemical compound with molecular formula C18H13F3N2O7 and molecular weight 426.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate
Also Known As: [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate, 1-[[4-nitro-2-(trifluoromethyl)phenyl]carbamoyl]ethyl Benzo[1,3]dioxole-5-carboxylate, [(2S)-1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate
| Molecular Formula | C18H13F3N2O7 |
|---|---|
| Molecular Weight | 426.07 g/mol |
| LogP | 3.5263 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.06747 |
| Heavy Atoms | 30 |
| Complexity | 1023.32495 |
Chemical Identifiers
| CAS Number | 744264-59-3 |
|---|---|
| SMILES | CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)OC(=O)C2=CC3=C(C=C2)OCO3 |
Product Overview
[1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate (CAS 744264-59-3), with molecular formula C18H13F3N2O7 and molecular weight 426.07 g/mol. IUPAC: [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate
Property Insights of [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate
The XLogP value of 3.5263 indicates that [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate. Following Lipinski's Rule of Five, [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate has 1 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 [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate?
The CAS number of [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate is 744264-59-3.
What is the molecular formula of [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate?
The molecular formula of [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate is C18H13F3N2O7.
What is the molecular weight of [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate?
The molecular weight of [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate is 426.07 g/mol.
Where can I buy [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate?
You can request a quote for [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.