3,5-Dimethoxy-beta-nitrostyrene
TL;DR: 3,5-Dimethoxy-beta-nitrostyrene (CAS 86255-43-8) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethoxy-5-(2-nitroethenyl)benzene
Also Known As: 1,3-dimethoxy-5-(2-nitroethenyl)benzene, 3,5-Dimethoxy-beta-Nitrostyrene, 1,3-dimethoxy-5-(2-nitrovinyl)benzene, 4-bromo-2,5-diisopropylbenzenethiol, 1,3-dimethoxy-5-(2-nitro-vinyl)-benzene
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 86255-43-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)C=C[N+](=O)[O-])OC |
| InChIKey | LIROLLNTVLAPGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dimethoxy-beta-nitrostyrene (CAS 86255-43-8), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: 1,3-dimethoxy-5-(2-nitroethenyl)benzene.
Chemical Property Profile of 3,5-Dimethoxy-beta-nitrostyrene
Property Insights of 3,5-Dimethoxy-beta-nitrostyrene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethoxy-beta-nitrostyrene. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethoxy-beta-nitrostyrene. Following Lipinski's Rule of Five, 3,5-Dimethoxy-beta-nitrostyrene has 0 hydrogen bond donor(s) and 4 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 3,5-Dimethoxy-beta-nitrostyrene?
The CAS number of 3,5-Dimethoxy-beta-nitrostyrene is 86255-43-8.
What is the molecular formula of 3,5-Dimethoxy-beta-nitrostyrene?
The molecular formula of 3,5-Dimethoxy-beta-nitrostyrene is C10H11NO4.
What is the molecular weight of 3,5-Dimethoxy-beta-nitrostyrene?
The molecular weight of 3,5-Dimethoxy-beta-nitrostyrene is 209.07 g/mol.
Where can I buy 3,5-Dimethoxy-beta-nitrostyrene?
You can request a quote for 3,5-Dimethoxy-beta-nitrostyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethoxy-beta-nitrostyrene?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethoxy-beta-nitrostyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.