1-(1-Methyl-1-nitroethyl)-3,5-bis(trifluoromethyl)benzene
TL;DR: 1-(1-Methyl-1-nitroethyl)-3,5-bis(trifluoromethyl)benzene (CAS 58324-86-0) is a chemical compound with molecular formula C11H9F6NO2 and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-nitropropan-2-yl)-3,5-bis(trifluoromethyl)benzene
Also Known As: 1-(2-nitropropan-2-yl)-3,5-bis(trifluoromethyl)benzene, 1,3-bis(trifluoromethyl)-5-(1-methyl-1-nitroethyl)benzene, 1-(1-methyl-1-nitroethyl)-3,5-bis(trifluoromethyl)benzene
| Molecular Formula | C11H9F6NO2 |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 4.236 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.05374 |
| Heavy Atoms | 20 |
| Complexity | 500.44537 |
Chemical Identifiers
| CAS Number | 58324-86-0 |
|---|---|
| SMILES | CC(C)(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)[N+](=O)[O-] |
Product Overview
1-(1-Methyl-1-nitroethyl)-3,5-bis(trifluoromethyl)benzene (CAS 58324-86-0), with molecular formula C11H9F6NO2 and molecular weight 301.05 g/mol. IUPAC: 1-(2-nitropropan-2-yl)-3,5-bis(trifluoromethyl)benzene.
Chemical Property Profile of 1-(1-Methyl-1-nitroethyl)-3,5-bis(trifluoromethyl)benzene
Property Insights of 1-(1-Methyl-1-nitroethyl)-3,5-bis(trifluoromethyl)benzene
The XLogP value of 4.236 indicates that 1-(1-Methyl-1-nitroethyl)-3,5-bis(trifluoromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 1-(1-Methyl-1-nitroethyl)-3,5-bis(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Methyl-1-nitroethyl)-3,5-bis(trifluoromethyl)benzene has 0 hydrogen bond donor(s) and 2 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-(1-Methyl-1-nitroethyl)-3,5-bis(trifluoromethyl)benzene?
The CAS number of 1-(1-Methyl-1-nitroethyl)-3,5-bis(trifluoromethyl)benzene is 58324-86-0.
What is the molecular formula of 1-(1-Methyl-1-nitroethyl)-3,5-bis(trifluoromethyl)benzene?
The molecular formula of 1-(1-Methyl-1-nitroethyl)-3,5-bis(trifluoromethyl)benzene is C11H9F6NO2.
What is the molecular weight of 1-(1-Methyl-1-nitroethyl)-3,5-bis(trifluoromethyl)benzene?
The molecular weight of 1-(1-Methyl-1-nitroethyl)-3,5-bis(trifluoromethyl)benzene is 301.05 g/mol.
Where can I buy 1-(1-Methyl-1-nitroethyl)-3,5-bis(trifluoromethyl)benzene?
You can request a quote for 1-(1-Methyl-1-nitroethyl)-3,5-bis(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-(1-Methyl-1-nitroethyl)-3,5-bis(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Methyl-1-nitroethyl)-3,5-bis(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.