2,2-Dinitropropane
TL;DR: 2,2-Dinitropropane (CAS 595-49-3) is a chemical compound with molecular formula C3H6N2O4 and molecular weight 134.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dinitropropane
Also Known As: 2,2-Dinitropropane, Propane, 2,2-dinitro-, Propane,2-dinitro-, 2,2-dinitro-propane, RefChem:81110
| Molecular Formula | C3H6N2O4 |
|---|---|
| Molecular Weight | 134.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 134.03276 |
| Heavy Atoms | 9 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 595-49-3 |
|---|---|
| SMILES | CC(C)([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | DHPRWWYQIUXCQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dinitropropane (CAS 595-49-3), with molecular formula C3H6N2O4 and molecular weight 134.03 g/mol. IUPAC: 2,2-dinitropropane.
Chemical Property Profile of 2,2-Dinitropropane
Property Insights of 2,2-Dinitropropane
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dinitropropane. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dinitropropane. Following Lipinski's Rule of Five, 2,2-Dinitropropane 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 2,2-Dinitropropane?
The CAS number of 2,2-Dinitropropane is 595-49-3.
What is the molecular formula of 2,2-Dinitropropane?
The molecular formula of 2,2-Dinitropropane is C3H6N2O4.
What is the molecular weight of 2,2-Dinitropropane?
The molecular weight of 2,2-Dinitropropane is 134.03 g/mol.
Where can I buy 2,2-Dinitropropane?
You can request a quote for 2,2-Dinitropropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dinitropropane?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dinitropropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.