3-Nitrostyrene
TL;DR: 3-Nitrostyrene (CAS 586-39-0) 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-ethenyl-3-nitrobenzene
Also Known As: 3-Nitrostyrene, 1-Nitro-3-vinylbenzene, m-Nitrostyrene, 1-ethenyl-3-nitrobenzene, b-nitrostyrene
| 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 | 162.0 |
Chemical Identifiers
| CAS Number | 586-39-0 |
|---|---|
| SMILES | C=CC1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | SYZVQXIUVGKCBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitrostyrene (CAS 586-39-0), with molecular formula C8H7NO2 and molecular weight 149.05 g/mol. IUPAC: 1-ethenyl-3-nitrobenzene.
Chemical Property Profile of 3-Nitrostyrene
Property Insights of 3-Nitrostyrene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrostyrene. With a topological polar surface area (TPSA) of 45.8 Ų, 3-Nitrostyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Nitrostyrene 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 3-Nitrostyrene?
The CAS number of 3-Nitrostyrene is 586-39-0.
What is the molecular formula of 3-Nitrostyrene?
The molecular formula of 3-Nitrostyrene is C8H7NO2.
What is the molecular weight of 3-Nitrostyrene?
The molecular weight of 3-Nitrostyrene is 149.05 g/mol.
Where can I buy 3-Nitrostyrene?
You can request a quote for 3-Nitrostyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrostyrene?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrostyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.