beta-Ethyl-beta-nitrostyrene
TL;DR: beta-Ethyl-beta-nitrostyrene (CAS 1202-32-0) is a chemical compound with molecular formula C10H11NO2 and molecular weight 177.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitrobut-1-enylbenzene
Also Known As: 2-nitrobut-1-enylbenzene, beta-ethyl-beta-nitrostyrene, (2-nitrobut-1-en-1-yl)benzene, [(1E)-2-nitro-1-butenyl]benzene, BENZENE,(2-NITRO-1-BUTEN-1-YL)-
| Molecular Formula | C10H11NO2 |
|---|---|
| Molecular Weight | 177.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.07898 |
| Heavy Atoms | 13 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 1202-32-0 |
|---|---|
| SMILES | CCC(=CC1=CC=CC=C1)[N+](=O)[O-] |
| InChIKey | ZWVYQTKQQAYACO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Ethyl-beta-nitrostyrene (CAS 1202-32-0), with molecular formula C10H11NO2 and molecular weight 177.08 g/mol. IUPAC: 2-nitrobut-1-enylbenzene.
Chemical Property Profile of beta-Ethyl-beta-nitrostyrene
Property Insights of beta-Ethyl-beta-nitrostyrene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Ethyl-beta-nitrostyrene. With a topological polar surface area (TPSA) of 45.8 Ų, beta-Ethyl-beta-nitrostyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Ethyl-beta-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 beta-Ethyl-beta-nitrostyrene?
The CAS number of beta-Ethyl-beta-nitrostyrene is 1202-32-0.
What is the molecular formula of beta-Ethyl-beta-nitrostyrene?
The molecular formula of beta-Ethyl-beta-nitrostyrene is C10H11NO2.
What is the molecular weight of beta-Ethyl-beta-nitrostyrene?
The molecular weight of beta-Ethyl-beta-nitrostyrene is 177.08 g/mol.
Where can I buy beta-Ethyl-beta-nitrostyrene?
You can request a quote for beta-Ethyl-beta-nitrostyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Ethyl-beta-nitrostyrene?
Yes, KEHONG BIO provides custom synthesis services for beta-Ethyl-beta-nitrostyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.