![1-nitro-4-[(1E)-prop-1-en-1-yl]benzene structure](/static/products/1879/1879-55-6.webp)
1-nitro-4-[(1E)-prop-1-en-1-yl]benzene
TL;DR: 1-nitro-4-[(1E)-prop-1-en-1-yl]benzene (CAS 1879-55-6) 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-nitro-4-[(E)-prop-1-enyl]benzene
Also Known As: Benzene,1-nitro-4- -, ghl.PD_Mitscher_leg0.1282, 1-Nitro-4-(1-propenyl)benzene, 1-Nitro-4-(prop-1-en-1-yl)benzene, 1-nitro-4-[(1E)-prop-1-en-1-yl]benzene
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 2.6279 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 300.8095 |
Chemical Identifiers
| CAS Number | 1879-55-6 |
|---|---|
| SMILES | C/C=C/C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
1-nitro-4-[(1E)-prop-1-en-1-yl]benzene (CAS 1879-55-6), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 1-nitro-4-[(E)-prop-1-enyl]benzene.
Chemical Property Profile of 1-nitro-4-[(1E)-prop-1-en-1-yl]benzene
Property Insights of 1-nitro-4-[(1E)-prop-1-en-1-yl]benzene
The XLogP value of 2.6279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-nitro-4-[(1E)-prop-1-en-1-yl]benzene. With a topological polar surface area (TPSA) of 43.14 Ų, 1-nitro-4-[(1E)-prop-1-en-1-yl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-nitro-4-[(1E)-prop-1-en-1-yl]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-nitro-4-[(1E)-prop-1-en-1-yl]benzene?
The CAS number of 1-nitro-4-[(1E)-prop-1-en-1-yl]benzene is 1879-55-6.
What is the molecular formula of 1-nitro-4-[(1E)-prop-1-en-1-yl]benzene?
The molecular formula of 1-nitro-4-[(1E)-prop-1-en-1-yl]benzene is C9H9NO2.
What is the molecular weight of 1-nitro-4-[(1E)-prop-1-en-1-yl]benzene?
The molecular weight of 1-nitro-4-[(1E)-prop-1-en-1-yl]benzene is 163.06 g/mol.
Where can I buy 1-nitro-4-[(1E)-prop-1-en-1-yl]benzene?
You can request a quote for 1-nitro-4-[(1E)-prop-1-en-1-yl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-nitro-4-[(1E)-prop-1-en-1-yl]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-nitro-4-[(1E)-prop-1-en-1-yl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.