1,2,4-Trimethoxy-3-(2-nitroethenyl)benzene
TL;DR: 1,2,4-Trimethoxy-3-(2-nitroethenyl)benzene (CAS 27022-45-3) is a chemical compound with molecular formula C11H13NO5 and molecular weight 239.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-trimethoxy-3-(2-nitroethenyl)benzene
Also Known As: 1,2,4-Trimethoxy-3-(2-nitro-vinyl)-benzene
| Molecular Formula | C11H13NO5 |
|---|---|
| Molecular Weight | 239.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.07938 |
| Heavy Atoms | 17 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 27022-45-3 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)OC)OC)C=C[N+](=O)[O-] |
| InChIKey | IMGIPZDSMOTNBB-UHFFFAOYSA-N |
Product Overview
1,2,4-Trimethoxy-3-(2-nitroethenyl)benzene (CAS 27022-45-3), with molecular formula C11H13NO5 and molecular weight 239.08 g/mol. IUPAC: 1,2,4-trimethoxy-3-(2-nitroethenyl)benzene.
Chemical Property Profile of 1,2,4-Trimethoxy-3-(2-nitroethenyl)benzene
Property Insights of 1,2,4-Trimethoxy-3-(2-nitroethenyl)benzene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Trimethoxy-3-(2-nitroethenyl)benzene. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Trimethoxy-3-(2-nitroethenyl)benzene. Following Lipinski's Rule of Five, 1,2,4-Trimethoxy-3-(2-nitroethenyl)benzene has 0 hydrogen bond donor(s) and 5 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 1,2,4-Trimethoxy-3-(2-nitroethenyl)benzene?
The CAS number of 1,2,4-Trimethoxy-3-(2-nitroethenyl)benzene is 27022-45-3.
What is the molecular formula of 1,2,4-Trimethoxy-3-(2-nitroethenyl)benzene?
The molecular formula of 1,2,4-Trimethoxy-3-(2-nitroethenyl)benzene is C11H13NO5.
What is the molecular weight of 1,2,4-Trimethoxy-3-(2-nitroethenyl)benzene?
The molecular weight of 1,2,4-Trimethoxy-3-(2-nitroethenyl)benzene is 239.08 g/mol.
Where can I buy 1,2,4-Trimethoxy-3-(2-nitroethenyl)benzene?
You can request a quote for 1,2,4-Trimethoxy-3-(2-nitroethenyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Trimethoxy-3-(2-nitroethenyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Trimethoxy-3-(2-nitroethenyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.