(1-Nitroethenyl)benzene
TL;DR: (1-Nitroethenyl)benzene (CAS 5468-44-0) is a chemical compound with molecular formula C8H7NO2 and molecular weight 149.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitroethenylbenzene
Also Known As: alpha-Nitrostyrene, Styrene, alpha-nitro-, (1-nitrovinyl)benzene, Benzene, (1-nitroethenyl)-, 1-Nitro-1-phenylethylene
| Molecular Formula | C8H7NO2 |
|---|---|
| Molecular Weight | 149.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 149.04768 |
| Heavy Atoms | 11 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 5468-44-0 |
|---|---|
| SMILES | C=C(C1=CC=CC=C1)[N+](=O)[O-] |
| InChIKey | YMXDOZWKTUBYLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1-Nitroethenyl)benzene (CAS 5468-44-0), with molecular formula C8H7NO2 and molecular weight 149.05 g/mol. IUPAC: 1-nitroethenylbenzene.
Chemical Property Profile of (1-Nitroethenyl)benzene
Property Insights of (1-Nitroethenyl)benzene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Nitroethenyl)benzene. With a topological polar surface area (TPSA) of 45.8 Ų, (1-Nitroethenyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Nitroethenyl)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-Nitroethenyl)benzene?
The CAS number of (1-Nitroethenyl)benzene is 5468-44-0.
What is the molecular formula of (1-Nitroethenyl)benzene?
The molecular formula of (1-Nitroethenyl)benzene is C8H7NO2.
What is the molecular weight of (1-Nitroethenyl)benzene?
The molecular weight of (1-Nitroethenyl)benzene is 149.05 g/mol.
Where can I buy (1-Nitroethenyl)benzene?
You can request a quote for (1-Nitroethenyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Nitroethenyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (1-Nitroethenyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.