1-Isopropyl-4-(2-nitrovinyl)benzene
TL;DR: 1-Isopropyl-4-(2-nitrovinyl)benzene (CAS 154242-18-9) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-2-nitroethenyl]-4-propan-2-ylbenzene
Also Known As: 1-isopropyl-4-(2-nitrovinyl)benzene, 4-Isopropyl-w-nitrostyrene, 4-ISOPROPYL-OMEGA-NITROSTYRENE, Hg^DAHAHeNR[VUveVf@BhAFP, 4-isoPropylphenylnitroethene
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 3.0574 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 338.8101 |
Chemical Identifiers
| CAS Number | 154242-18-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)/C=C/[N+](=O)[O-] |
Product Overview
1-Isopropyl-4-(2-nitrovinyl)benzene (CAS 154242-18-9), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: 1-[(E)-2-nitroethenyl]-4-propan-2-ylbenzene.
Chemical Property Profile of 1-Isopropyl-4-(2-nitrovinyl)benzene
Property Insights of 1-Isopropyl-4-(2-nitrovinyl)benzene
The XLogP value of 3.0574 indicates that 1-Isopropyl-4-(2-nitrovinyl)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-Isopropyl-4-(2-nitrovinyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isopropyl-4-(2-nitrovinyl)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-Isopropyl-4-(2-nitrovinyl)benzene?
The CAS number of 1-Isopropyl-4-(2-nitrovinyl)benzene is 154242-18-9.
What is the molecular formula of 1-Isopropyl-4-(2-nitrovinyl)benzene?
The molecular formula of 1-Isopropyl-4-(2-nitrovinyl)benzene is C11H13NO2.
What is the molecular weight of 1-Isopropyl-4-(2-nitrovinyl)benzene?
The molecular weight of 1-Isopropyl-4-(2-nitrovinyl)benzene is 191.09 g/mol.
Where can I buy 1-Isopropyl-4-(2-nitrovinyl)benzene?
You can request a quote for 1-Isopropyl-4-(2-nitrovinyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isopropyl-4-(2-nitrovinyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Isopropyl-4-(2-nitrovinyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.