1-(((((2-Methylbutylidene)amino)oxy)carbonyl)amino)-3-(trifluoromethyl)benzene
TL;DR: 1-(((((2-Methylbutylidene)amino)oxy)carbonyl)amino)-3-(trifluoromethyl)benzene (CAS 623940-65-8) is a chemical compound with molecular formula C13H15F3N2O2 and molecular weight 288.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-2-methylbutylideneamino] N-[3-(trifluoromethyl)phenyl]carbamate
Also Known As: SALOR-INT L449806-1EA, (2-methylbutylideneamino) N-[3-(trifluoromethyl)phenyl]carbamate, 1-(((((2-METHYLBUTYLIDENE)AMINO)OXY)CARBONYL)AMINO)-3-(TRIFLUOROMETHYL)BENZENE, 644-953-6, RefChem:417971
| Molecular Formula | C13H15F3N2O2 |
|---|---|
| Molecular Weight | 288.11 g/mol |
| LogP | 4.2858 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.10855 |
| Heavy Atoms | 20 |
| Complexity | 486.74976 |
Chemical Identifiers
| CAS Number | 623940-65-8 |
|---|---|
| SMILES | CCC(C)/C=N/OC(=O)NC1=CC=CC(=C1)C(F)(F)F |
Product Overview
1-(((((2-Methylbutylidene)amino)oxy)carbonyl)amino)-3-(trifluoromethyl)benzene (CAS 623940-65-8), with molecular formula C13H15F3N2O2 and molecular weight 288.11 g/mol. IUPAC: [(E)-2-methylbutylideneamino] N-[3-(trifluoromethyl)phenyl]carbamate.
Chemical Property Profile of 1-(((((2-Methylbutylidene)amino)oxy)carbonyl)amino)-3-(trifluoromethyl)benzene
Property Insights of 1-(((((2-Methylbutylidene)amino)oxy)carbonyl)amino)-3-(trifluoromethyl)benzene
The XLogP value of 4.2858 indicates that 1-(((((2-Methylbutylidene)amino)oxy)carbonyl)amino)-3-(trifluoromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.69 Ų, 1-(((((2-Methylbutylidene)amino)oxy)carbonyl)amino)-3-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(((((2-Methylbutylidene)amino)oxy)carbonyl)amino)-3-(trifluoromethyl)benzene has 1 hydrogen bond donor(s) and 3 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-(((((2-Methylbutylidene)amino)oxy)carbonyl)amino)-3-(trifluoromethyl)benzene?
The CAS number of 1-(((((2-Methylbutylidene)amino)oxy)carbonyl)amino)-3-(trifluoromethyl)benzene is 623940-65-8.
What is the molecular formula of 1-(((((2-Methylbutylidene)amino)oxy)carbonyl)amino)-3-(trifluoromethyl)benzene?
The molecular formula of 1-(((((2-Methylbutylidene)amino)oxy)carbonyl)amino)-3-(trifluoromethyl)benzene is C13H15F3N2O2.
What is the molecular weight of 1-(((((2-Methylbutylidene)amino)oxy)carbonyl)amino)-3-(trifluoromethyl)benzene?
The molecular weight of 1-(((((2-Methylbutylidene)amino)oxy)carbonyl)amino)-3-(trifluoromethyl)benzene is 288.11 g/mol.
Where can I buy 1-(((((2-Methylbutylidene)amino)oxy)carbonyl)amino)-3-(trifluoromethyl)benzene?
You can request a quote for 1-(((((2-Methylbutylidene)amino)oxy)carbonyl)amino)-3-(trifluoromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(((((2-Methylbutylidene)amino)oxy)carbonyl)amino)-3-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(((((2-Methylbutylidene)amino)oxy)carbonyl)amino)-3-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.