Phenylnitropropene
TL;DR: Phenylnitropropene (CAS 25236-39-9) 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-nitroprop-1-enylbenzene
Also Known As: phenylnitropropene, 1-nitroprop-1-enylbenzene, (1-nitroprop-1-en-1-yl)benzene, Benzene,(1-nitro-1-propen-1-yl)-
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 2.6 |
| 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 | 25236-39-9 |
|---|---|
| SMILES | CC=C(C1=CC=CC=C1)[N+](=O)[O-] |
| InChIKey | COMOEDSRBFJHCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylnitropropene (CAS 25236-39-9), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 1-nitroprop-1-enylbenzene.
Chemical Property Profile of Phenylnitropropene
Property Insights of Phenylnitropropene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylnitropropene. With a topological polar surface area (TPSA) of 45.8 Ų, Phenylnitropropene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylnitropropene 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 Phenylnitropropene?
The CAS number of Phenylnitropropene is 25236-39-9.
What is the molecular formula of Phenylnitropropene?
The molecular formula of Phenylnitropropene is C9H9NO2.
What is the molecular weight of Phenylnitropropene?
The molecular weight of Phenylnitropropene is 163.06 g/mol.
Where can I buy Phenylnitropropene?
You can request a quote for Phenylnitropropene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylnitropropene?
Yes, KEHONG BIO provides custom synthesis services for Phenylnitropropene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.