1,2-Diisopropoxy-4,5-dinitrobenzene
TL;DR: 1,2-Diisopropoxy-4,5-dinitrobenzene (CAS 91559-07-8) is a chemical compound with molecular formula C12H16N2O6 and molecular weight 284.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dinitro-4,5-di(propan-2-yloxy)benzene
Also Known As: 1,2-diisopropoxy-4,5-dinitrobenzene, 1,2-dinitro-4,5-bis(propan-2-yloxy)benzene, 1,2-dinitro-4,5-di(propan-2-yloxy)benzene, 1,2-diisopropoxy-4,5-dinitro-benzene
| Molecular Formula | C12H16N2O6 |
|---|---|
| Molecular Weight | 284.10 g/mol |
| LogP | 3.0774 |
| Topological Polar Surface Area | 104.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.10083 |
| Heavy Atoms | 20 |
| Complexity | 479.92398 |
Chemical Identifiers
| CAS Number | 91559-07-8 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(C)C |
Product Overview
1,2-Diisopropoxy-4,5-dinitrobenzene (CAS 91559-07-8), with molecular formula C12H16N2O6 and molecular weight 284.10 g/mol. IUPAC: 1,2-dinitro-4,5-di(propan-2-yloxy)benzene.
Chemical Property Profile of 1,2-Diisopropoxy-4,5-dinitrobenzene
Property Insights of 1,2-Diisopropoxy-4,5-dinitrobenzene
The XLogP value of 3.0774 indicates that 1,2-Diisopropoxy-4,5-dinitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Diisopropoxy-4,5-dinitrobenzene. Following Lipinski's Rule of Five, 1,2-Diisopropoxy-4,5-dinitrobenzene 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-Diisopropoxy-4,5-dinitrobenzene?
The CAS number of 1,2-Diisopropoxy-4,5-dinitrobenzene is 91559-07-8.
What is the molecular formula of 1,2-Diisopropoxy-4,5-dinitrobenzene?
The molecular formula of 1,2-Diisopropoxy-4,5-dinitrobenzene is C12H16N2O6.
What is the molecular weight of 1,2-Diisopropoxy-4,5-dinitrobenzene?
The molecular weight of 1,2-Diisopropoxy-4,5-dinitrobenzene is 284.10 g/mol.
Where can I buy 1,2-Diisopropoxy-4,5-dinitrobenzene?
You can request a quote for 1,2-Diisopropoxy-4,5-dinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Diisopropoxy-4,5-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Diisopropoxy-4,5-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.