1,2-Dimethoxy-4-nitro-5-(2-nitroprop-1-enyl)benzene
TL;DR: 1,2-Dimethoxy-4-nitro-5-(2-nitroprop-1-enyl)benzene (CAS 86712-40-5) is a chemical compound with molecular formula C11H12N2O6 and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dimethoxy-4-nitro-5-(2-nitroprop-1-enyl)benzene
Also Known As: 1,2-dimethoxy-4-nitro-5-(2-nitroprop-1-enyl)benzene, 1,2-dimethoxy-4-nitro-5-[(Z)-2-nitroprop-1-enyl]benzene
| Molecular Formula | C11H12N2O6 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.06955 |
| Heavy Atoms | 19 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 86712-40-5 |
|---|---|
| SMILES | CC(=CC1=CC(=C(C=C1[N+](=O)[O-])OC)OC)[N+](=O)[O-] |
| InChIKey | PCHJSSLCEMFQMH-UHFFFAOYSA-N |
Product Overview
1,2-Dimethoxy-4-nitro-5-(2-nitroprop-1-enyl)benzene (CAS 86712-40-5), with molecular formula C11H12N2O6 and molecular weight 268.07 g/mol. IUPAC: 1,2-dimethoxy-4-nitro-5-(2-nitroprop-1-enyl)benzene.
Chemical Property Profile of 1,2-Dimethoxy-4-nitro-5-(2-nitroprop-1-enyl)benzene
Property Insights of 1,2-Dimethoxy-4-nitro-5-(2-nitroprop-1-enyl)benzene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dimethoxy-4-nitro-5-(2-nitroprop-1-enyl)benzene. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Dimethoxy-4-nitro-5-(2-nitroprop-1-enyl)benzene. Following Lipinski's Rule of Five, 1,2-Dimethoxy-4-nitro-5-(2-nitroprop-1-enyl)benzene has 0 hydrogen bond donor(s) and 6 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-Dimethoxy-4-nitro-5-(2-nitroprop-1-enyl)benzene?
The CAS number of 1,2-Dimethoxy-4-nitro-5-(2-nitroprop-1-enyl)benzene is 86712-40-5.
What is the molecular formula of 1,2-Dimethoxy-4-nitro-5-(2-nitroprop-1-enyl)benzene?
The molecular formula of 1,2-Dimethoxy-4-nitro-5-(2-nitroprop-1-enyl)benzene is C11H12N2O6.
What is the molecular weight of 1,2-Dimethoxy-4-nitro-5-(2-nitroprop-1-enyl)benzene?
The molecular weight of 1,2-Dimethoxy-4-nitro-5-(2-nitroprop-1-enyl)benzene is 268.07 g/mol.
Where can I buy 1,2-Dimethoxy-4-nitro-5-(2-nitroprop-1-enyl)benzene?
You can request a quote for 1,2-Dimethoxy-4-nitro-5-(2-nitroprop-1-enyl)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-Dimethoxy-4-nitro-5-(2-nitroprop-1-enyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dimethoxy-4-nitro-5-(2-nitroprop-1-enyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.