4-Ethenyl-1-methoxy-2-nitrobenzene
TL;DR: 4-Ethenyl-1-methoxy-2-nitrobenzene (CAS 99778-26-4) 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.
4-ethenyl-1-methoxy-2-nitrobenzene
Also Known As: 4-ethenyl-1-methoxy-2-nitrobenzene, 4-methoxy-B-nitrostyrene, 2-nitro-4-vinyl-anisole, 1-Methoxy-2-nitro-4-vinylbenzene, 1-methoxy-2-nitro-4-vinyl-benzene
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 99778-26-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=C)[N+](=O)[O-] |
| InChIKey | YDBZZPGFKSOBNU-UHFFFAOYSA-N |
Product Overview
4-Ethenyl-1-methoxy-2-nitrobenzene (CAS 99778-26-4), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: 4-ethenyl-1-methoxy-2-nitrobenzene.
Chemical Property Profile of 4-Ethenyl-1-methoxy-2-nitrobenzene
Property Insights of 4-Ethenyl-1-methoxy-2-nitrobenzene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethenyl-1-methoxy-2-nitrobenzene. With a topological polar surface area (TPSA) of 55.1 Ų, 4-Ethenyl-1-methoxy-2-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethenyl-1-methoxy-2-nitrobenzene 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 4-Ethenyl-1-methoxy-2-nitrobenzene?
The CAS number of 4-Ethenyl-1-methoxy-2-nitrobenzene is 99778-26-4.
What is the molecular formula of 4-Ethenyl-1-methoxy-2-nitrobenzene?
The molecular formula of 4-Ethenyl-1-methoxy-2-nitrobenzene is C9H9NO3.
What is the molecular weight of 4-Ethenyl-1-methoxy-2-nitrobenzene?
The molecular weight of 4-Ethenyl-1-methoxy-2-nitrobenzene is 179.06 g/mol.
Where can I buy 4-Ethenyl-1-methoxy-2-nitrobenzene?
You can request a quote for 4-Ethenyl-1-methoxy-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethenyl-1-methoxy-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethenyl-1-methoxy-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.