1-(2-Nitroethenyl)-3,5-bis(trifluoromethyl)benzene
TL;DR: 1-(2-Nitroethenyl)-3,5-bis(trifluoromethyl)benzene (CAS 120355-73-9) is a chemical compound with molecular formula C10H5F6NO2 and molecular weight 285.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-2-nitroethenyl]-3,5-bis(trifluoromethyl)benzene
Also Known As: 1-(2-nitroethenyl)-3,5-bis(trifluoromethyl)benzene, beta-Nitro-3,5-bis(trifluoromethyl)styrene, J3.272.947I, J3.732.640B, 1-[(E)-2-nitroethenyl]-3,5-bis(trifluoromethyl)benzene
| Molecular Formula | C10H5F6NO2 |
|---|---|
| Molecular Weight | 285.02 g/mol |
| LogP | 3.9716 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.02246 |
| Heavy Atoms | 19 |
| Complexity | 485.48166 |
Chemical Identifiers
| CAS Number | 120355-73-9 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)/C=C/[N+](=O)[O-] |
Product Overview
1-(2-Nitroethenyl)-3,5-bis(trifluoromethyl)benzene (CAS 120355-73-9), with molecular formula C10H5F6NO2 and molecular weight 285.02 g/mol. IUPAC: 1-[(E)-2-nitroethenyl]-3,5-bis(trifluoromethyl)benzene.
Chemical Property Profile of 1-(2-Nitroethenyl)-3,5-bis(trifluoromethyl)benzene
Property Insights of 1-(2-Nitroethenyl)-3,5-bis(trifluoromethyl)benzene
The XLogP value of 3.9716 indicates that 1-(2-Nitroethenyl)-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-(2-Nitroethenyl)-3,5-bis(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Nitroethenyl)-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-(2-Nitroethenyl)-3,5-bis(trifluoromethyl)benzene?
The CAS number of 1-(2-Nitroethenyl)-3,5-bis(trifluoromethyl)benzene is 120355-73-9.
What is the molecular formula of 1-(2-Nitroethenyl)-3,5-bis(trifluoromethyl)benzene?
The molecular formula of 1-(2-Nitroethenyl)-3,5-bis(trifluoromethyl)benzene is C10H5F6NO2.
What is the molecular weight of 1-(2-Nitroethenyl)-3,5-bis(trifluoromethyl)benzene?
The molecular weight of 1-(2-Nitroethenyl)-3,5-bis(trifluoromethyl)benzene is 285.02 g/mol.
Where can I buy 1-(2-Nitroethenyl)-3,5-bis(trifluoromethyl)benzene?
You can request a quote for 1-(2-Nitroethenyl)-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-(2-Nitroethenyl)-3,5-bis(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Nitroethenyl)-3,5-bis(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.