1,3,5-Trimethyl-2-(2-nitroallyl)benzene
TL;DR: 1,3,5-Trimethyl-2-(2-nitroallyl)benzene (CAS 80255-26-1) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-trimethyl-2-(2-nitroprop-2-enyl)benzene
Also Known As: 1,3,5-Trimethyl-2-(2-nitroallyl)benzene, 1,3,5-trimethyl-2-(2'-nitro-2'-propenyl)-benzene, 1,3,5-trimethyl-2-(2-nitroprop-2-enyl)benzene, 1,3,5-Trimethyl-2-(2-nitro-2-propenyl)benzene #
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 80255-26-1 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)CC(=C)[N+](=O)[O-])C |
| InChIKey | USJMIABRAGGKPX-UHFFFAOYSA-N |
Product Overview
1,3,5-Trimethyl-2-(2-nitroallyl)benzene (CAS 80255-26-1), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: 1,3,5-trimethyl-2-(2-nitroprop-2-enyl)benzene.
Chemical Property Profile of 1,3,5-Trimethyl-2-(2-nitroallyl)benzene
Property Insights of 1,3,5-Trimethyl-2-(2-nitroallyl)benzene
The XLogP value of 3.7 indicates that 1,3,5-Trimethyl-2-(2-nitroallyl)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, 1,3,5-Trimethyl-2-(2-nitroallyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5-Trimethyl-2-(2-nitroallyl)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 1,3,5-Trimethyl-2-(2-nitroallyl)benzene?
The CAS number of 1,3,5-Trimethyl-2-(2-nitroallyl)benzene is 80255-26-1.
What is the molecular formula of 1,3,5-Trimethyl-2-(2-nitroallyl)benzene?
The molecular formula of 1,3,5-Trimethyl-2-(2-nitroallyl)benzene is C12H15NO2.
What is the molecular weight of 1,3,5-Trimethyl-2-(2-nitroallyl)benzene?
The molecular weight of 1,3,5-Trimethyl-2-(2-nitroallyl)benzene is 205.11 g/mol.
Where can I buy 1,3,5-Trimethyl-2-(2-nitroallyl)benzene?
You can request a quote for 1,3,5-Trimethyl-2-(2-nitroallyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Trimethyl-2-(2-nitroallyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Trimethyl-2-(2-nitroallyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.