1,1-Dinitropentane
TL;DR: 1,1-Dinitropentane (CAS 63299-22-9) is a chemical compound with molecular formula C5H10N2O4 and molecular weight 162.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dinitropentane
Also Known As: 1,1-Dinitropentane, Pentane, dinitro-, pentane, 1,1-dinitro-, RefChem:71118
| Molecular Formula | C5H10N2O4 |
|---|---|
| Molecular Weight | 162.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.06406 |
| Heavy Atoms | 11 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 63299-22-9 |
|---|---|
| SMILES | CCCCC([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | WOVMXXUUELNGSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dinitropentane (CAS 63299-22-9), with molecular formula C5H10N2O4 and molecular weight 162.06 g/mol. IUPAC: 1,1-dinitropentane.
Chemical Property Profile of 1,1-Dinitropentane
Property Insights of 1,1-Dinitropentane
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dinitropentane. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dinitropentane. Following Lipinski's Rule of Five, 1,1-Dinitropentane 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 1,1-Dinitropentane?
The CAS number of 1,1-Dinitropentane is 63299-22-9.
What is the molecular formula of 1,1-Dinitropentane?
The molecular formula of 1,1-Dinitropentane is C5H10N2O4.
What is the molecular weight of 1,1-Dinitropentane?
The molecular weight of 1,1-Dinitropentane is 162.06 g/mol.
Where can I buy 1,1-Dinitropentane?
You can request a quote for 1,1-Dinitropentane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dinitropentane?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dinitropentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.