1-苯基-2-硝基丙烯
TL;DR: 1-苯基-2-硝基丙烯 (CAS 705-60-2) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-苯基-2-硝基丙烯
2-nitroprop-1-enylbenzene
Also Known As: 1-Phenyl-2-nitropropene, 2-nitroprop-1-enylbenzene, Caswell No. 604, (2-Nitropropenyl)benzene, (2-Nitroprop-1-en-1-yl)benzene
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 705-60-2 |
|---|---|
| SMILES | CC(=CC1=CC=CC=C1)[N+](=O)[O-] |
| InChIKey | WGSVFWFSJDAYBM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-苯基-2-硝基丙烯 (CAS 705-60-2), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 2-nitroprop-1-enylbenzene.
Chemical Property Profile of 1-苯基-2-硝基丙烯
Property Insights of 1-苯基-2-硝基丙烯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-苯基-2-硝基丙烯. With a topological polar surface area (TPSA) of 45.8 Ų, 1-苯基-2-硝基丙烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-苯基-2-硝基丙烯 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-苯基-2-硝基丙烯?
The CAS number of 1-苯基-2-硝基丙烯 is 705-60-2.
What is the molecular formula of 1-苯基-2-硝基丙烯?
The molecular formula of 1-苯基-2-硝基丙烯 is C9H9NO2.
What is the molecular weight of 1-苯基-2-硝基丙烯?
The molecular weight of 1-苯基-2-硝基丙烯 is 163.06 g/mol.
Where can I buy 1-苯基-2-硝基丙烯?
You can request a quote for 1-苯基-2-硝基丙烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-苯基-2-硝基丙烯?
Yes, KEHONG BIO provides custom synthesis services for 1-苯基-2-硝基丙烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.