cis-2,3-Dimethoxy-beta-methyl-beta-nitrostyrene
TL;DR: cis-2,3-Dimethoxy-beta-methyl-beta-nitrostyrene (CAS 37629-54-2) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dimethoxy-3-[(E)-2-nitroprop-1-enyl]benzene
Also Known As: 1-(2,3-DIMETHOXYPHENYL)-2-NITROPROPENE, 2,3-dimethoxy-beta-methyl-beta-nitrostyrene, cis-2,3-Dimethoxy-.beta.-methyl-.beta.-nitrostyrene, (E)-1-(2,3-Dimethoxyphenyl)-2-nitro-1-propene, 1,2-Dimethoxy-3-[(E)-2-nitro-1-propenyl]benzene
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 2.3413 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 425.99277 |
Chemical Identifiers
| CAS Number | 37629-54-2 |
|---|---|
| SMILES | C/C(=C\C1=C(C(=CC=C1)OC)OC)/[N+](=O)[O-] |
Product Overview
cis-2,3-Dimethoxy-beta-methyl-beta-nitrostyrene (CAS 37629-54-2), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: 1,2-dimethoxy-3-[(E)-2-nitroprop-1-enyl]benzene.
Chemical Property Profile of cis-2,3-Dimethoxy-beta-methyl-beta-nitrostyrene
Property Insights of cis-2,3-Dimethoxy-beta-methyl-beta-nitrostyrene
The XLogP value of 2.3413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-2,3-Dimethoxy-beta-methyl-beta-nitrostyrene. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for cis-2,3-Dimethoxy-beta-methyl-beta-nitrostyrene. Following Lipinski's Rule of Five, cis-2,3-Dimethoxy-beta-methyl-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 cis-2,3-Dimethoxy-beta-methyl-beta-nitrostyrene?
The CAS number of cis-2,3-Dimethoxy-beta-methyl-beta-nitrostyrene is 37629-54-2.
What is the molecular formula of cis-2,3-Dimethoxy-beta-methyl-beta-nitrostyrene?
The molecular formula of cis-2,3-Dimethoxy-beta-methyl-beta-nitrostyrene is C11H13NO4.
What is the molecular weight of cis-2,3-Dimethoxy-beta-methyl-beta-nitrostyrene?
The molecular weight of cis-2,3-Dimethoxy-beta-methyl-beta-nitrostyrene is 223.08 g/mol.
Where can I buy cis-2,3-Dimethoxy-beta-methyl-beta-nitrostyrene?
You can request a quote for cis-2,3-Dimethoxy-beta-methyl-beta-nitrostyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-2,3-Dimethoxy-beta-methyl-beta-nitrostyrene?
Yes, KEHONG BIO provides custom synthesis services for cis-2,3-Dimethoxy-beta-methyl-beta-nitrostyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.