5-(((((3-(Trifluoromethyl)anilino)carbonyl)oxy)imino)methyl)-1,3-benzodioxole
TL;DR: 5-(((((3-(Trifluoromethyl)anilino)carbonyl)oxy)imino)methyl)-1,3-benzodioxole (CAS 623940-64-7) is a chemical compound with molecular formula C16H11F3N2O4 and molecular weight 352.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-1,3-benzodioxol-5-ylmethylideneamino] N-[3-(trifluoromethyl)phenyl]carbamate
Also Known As: 5-(((((3-(TRIFLUOROMETHYL)ANILINO)CARBONYL)OXY)IMINO)METHYL)-1,3-BENZODIOXOLE, (benzo[1,3]dioxol-5-ylmethylideneamino) N-[3-(trifluoromethyl)phenyl]carbamate, 644-949-4, RefChem:528380
| Molecular Formula | C16H11F3N2O4 |
|---|---|
| Molecular Weight | 352.07 g/mol |
| LogP | 4.0167 |
| Topological Polar Surface Area | 69.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.06708 |
| Heavy Atoms | 25 |
| Complexity | 821.2674 |
Chemical Identifiers
| CAS Number | 623940-64-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=N/OC(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
5-(((((3-(Trifluoromethyl)anilino)carbonyl)oxy)imino)methyl)-1,3-benzodioxole (CAS 623940-64-7), with molecular formula C16H11F3N2O4 and molecular weight 352.07 g/mol. IUPAC: [(E)-1,3-benzodioxol-5-ylmethylideneamino] N-[3-(trifluoromethyl)phenyl]carbamate.
Chemical Property Profile of 5-(((((3-(Trifluoromethyl)anilino)carbonyl)oxy)imino)methyl)-1,3-benzodioxole
Property Insights of 5-(((((3-(Trifluoromethyl)anilino)carbonyl)oxy)imino)methyl)-1,3-benzodioxole
The XLogP value of 4.0167 indicates that 5-(((((3-(Trifluoromethyl)anilino)carbonyl)oxy)imino)methyl)-1,3-benzodioxole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(((((3-(Trifluoromethyl)anilino)carbonyl)oxy)imino)methyl)-1,3-benzodioxole. Following Lipinski's Rule of Five, 5-(((((3-(Trifluoromethyl)anilino)carbonyl)oxy)imino)methyl)-1,3-benzodioxole has 1 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 5-(((((3-(Trifluoromethyl)anilino)carbonyl)oxy)imino)methyl)-1,3-benzodioxole?
The CAS number of 5-(((((3-(Trifluoromethyl)anilino)carbonyl)oxy)imino)methyl)-1,3-benzodioxole is 623940-64-7.
What is the molecular formula of 5-(((((3-(Trifluoromethyl)anilino)carbonyl)oxy)imino)methyl)-1,3-benzodioxole?
The molecular formula of 5-(((((3-(Trifluoromethyl)anilino)carbonyl)oxy)imino)methyl)-1,3-benzodioxole is C16H11F3N2O4.
What is the molecular weight of 5-(((((3-(Trifluoromethyl)anilino)carbonyl)oxy)imino)methyl)-1,3-benzodioxole?
The molecular weight of 5-(((((3-(Trifluoromethyl)anilino)carbonyl)oxy)imino)methyl)-1,3-benzodioxole is 352.07 g/mol.
Where can I buy 5-(((((3-(Trifluoromethyl)anilino)carbonyl)oxy)imino)methyl)-1,3-benzodioxole?
You can request a quote for 5-(((((3-(Trifluoromethyl)anilino)carbonyl)oxy)imino)methyl)-1,3-benzodioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(((((3-(Trifluoromethyl)anilino)carbonyl)oxy)imino)methyl)-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 5-(((((3-(Trifluoromethyl)anilino)carbonyl)oxy)imino)methyl)-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.