Benzene, 1-(1-methoxyethenyl)-4-nitro-
TL;DR: Benzene, 1-(1-methoxyethenyl)-4-nitro- (CAS 3440-23-1) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-methoxyethenyl)-4-nitrobenzene
Also Known As: 1-(1-Methoxyethenyl)-4-nitrobenzene, p-nitro-alpha-methoxystyrene, alpha-Methoxy-4-nitrostyrene, Benzene, 1-(1-methoxyethenyl)-4-nitro-, 1-(1-methoxyvinyl)-4-nitrobenzene
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 2.2119 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 329.218 |
Chemical Identifiers
| CAS Number | 3440-23-1 |
|---|---|
| SMILES | COC(=C)C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
Benzene, 1-(1-methoxyethenyl)-4-nitro- (CAS 3440-23-1), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: 1-(1-methoxyethenyl)-4-nitrobenzene.
Chemical Property Profile of Benzene, 1-(1-methoxyethenyl)-4-nitro-
Property Insights of Benzene, 1-(1-methoxyethenyl)-4-nitro-
The XLogP value of 2.2119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-(1-methoxyethenyl)-4-nitro-. With a topological polar surface area (TPSA) of 52.37 Ų, Benzene, 1-(1-methoxyethenyl)-4-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(1-methoxyethenyl)-4-nitro- has 0 hydrogen bond donor(s) and 3 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-(1-methoxyethenyl)-4-nitro-?
The CAS number of Benzene, 1-(1-methoxyethenyl)-4-nitro- is 3440-23-1.
What is the molecular formula of Benzene, 1-(1-methoxyethenyl)-4-nitro-?
The molecular formula of Benzene, 1-(1-methoxyethenyl)-4-nitro- is C9H9NO3.
What is the molecular weight of Benzene, 1-(1-methoxyethenyl)-4-nitro-?
The molecular weight of Benzene, 1-(1-methoxyethenyl)-4-nitro- is 179.06 g/mol.
Where can I buy Benzene, 1-(1-methoxyethenyl)-4-nitro-?
You can request a quote for Benzene, 1-(1-methoxyethenyl)-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(1-methoxyethenyl)-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(1-methoxyethenyl)-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.