Benzene,1-nitro-4-(1Z)-1-propen-1-yl-
TL;DR: Benzene,1-nitro-4-(1Z)-1-propen-1-yl- (CAS 1879-54-5) 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-[(Z)-prop-1-enyl]benzene
Also Known As: 1-Nitro-4-[(Z)-1-propenyl]benzene, 1-nitro-4-[(Z)-prop-1-enyl]benzene, Benzene,1-nitro-4-(1Z)-1-propen-1-yl-, 1-nitro-4-[(1Z)-prop-1-en-1-yl]benzene, Benzene, 1-nitro-4-(1Z)-1-propen-1-yl-
| 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 | 1879-54-5 |
|---|---|
| SMILES | C/C=C\C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
Benzene,1-nitro-4-(1Z)-1-propen-1-yl- (CAS 1879-54-5), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 1-nitro-4-[(Z)-prop-1-enyl]benzene.
Chemical Property Profile of Benzene,1-nitro-4-(1Z)-1-propen-1-yl-
Property Insights of Benzene,1-nitro-4-(1Z)-1-propen-1-yl-
The XLogP value of 2.6279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene,1-nitro-4-(1Z)-1-propen-1-yl-. With a topological polar surface area (TPSA) of 43.14 Ų, Benzene,1-nitro-4-(1Z)-1-propen-1-yl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene,1-nitro-4-(1Z)-1-propen-1-yl- 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 Benzene,1-nitro-4-(1Z)-1-propen-1-yl-?
The CAS number of Benzene,1-nitro-4-(1Z)-1-propen-1-yl- is 1879-54-5.
What is the molecular formula of Benzene,1-nitro-4-(1Z)-1-propen-1-yl-?
The molecular formula of Benzene,1-nitro-4-(1Z)-1-propen-1-yl- is C9H9NO2.
What is the molecular weight of Benzene,1-nitro-4-(1Z)-1-propen-1-yl-?
The molecular weight of Benzene,1-nitro-4-(1Z)-1-propen-1-yl- is 163.06 g/mol.
Where can I buy Benzene,1-nitro-4-(1Z)-1-propen-1-yl-?
You can request a quote for Benzene,1-nitro-4-(1Z)-1-propen-1-yl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene,1-nitro-4-(1Z)-1-propen-1-yl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene,1-nitro-4-(1Z)-1-propen-1-yl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.