1-(2-Nitro-vinyl)-4-trifluoromethyl-benzene
TL;DR: 1-(2-Nitro-vinyl)-4-trifluoromethyl-benzene (CAS 99696-01-2) is a chemical compound with molecular formula C9H6F3NO2 and molecular weight 217.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-nitroethenyl)-4-(trifluoromethyl)benzene
Also Known As: cefpiramide, 4-trifluoromethyl-beta-nitrostyrene, 1-(2-Nitro-vinyl)-4-trifluoromethyl-benzene, 1-(2-nitrovinyl)-4-(trifluoromethyl)benzene, 1-(2-nitroethenyl)-4-(trifluoromethyl)benzene
| Molecular Formula | C9H6F3NO2 |
|---|---|
| Molecular Weight | 217.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.03506 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 99696-01-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C[N+](=O)[O-])C(F)(F)F |
| InChIKey | CATQYSSYYQMLHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Nitro-vinyl)-4-trifluoromethyl-benzene (CAS 99696-01-2), with molecular formula C9H6F3NO2 and molecular weight 217.04 g/mol. IUPAC: 1-(2-nitroethenyl)-4-(trifluoromethyl)benzene.
Chemical Property Profile of 1-(2-Nitro-vinyl)-4-trifluoromethyl-benzene
Property Insights of 1-(2-Nitro-vinyl)-4-trifluoromethyl-benzene
The XLogP value of 3.2 indicates that 1-(2-Nitro-vinyl)-4-trifluoromethyl-benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1-(2-Nitro-vinyl)-4-trifluoromethyl-benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Nitro-vinyl)-4-trifluoromethyl-benzene has 0 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 1-(2-Nitro-vinyl)-4-trifluoromethyl-benzene?
The CAS number of 1-(2-Nitro-vinyl)-4-trifluoromethyl-benzene is 99696-01-2.
What is the molecular formula of 1-(2-Nitro-vinyl)-4-trifluoromethyl-benzene?
The molecular formula of 1-(2-Nitro-vinyl)-4-trifluoromethyl-benzene is C9H6F3NO2.
What is the molecular weight of 1-(2-Nitro-vinyl)-4-trifluoromethyl-benzene?
The molecular weight of 1-(2-Nitro-vinyl)-4-trifluoromethyl-benzene is 217.04 g/mol.
Where can I buy 1-(2-Nitro-vinyl)-4-trifluoromethyl-benzene?
You can request a quote for 1-(2-Nitro-vinyl)-4-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-Nitro-vinyl)-4-trifluoromethyl-benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Nitro-vinyl)-4-trifluoromethyl-benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.