2,2-Dimethyl-1,3-dinitro-propane
TL;DR: 2,2-Dimethyl-1,3-dinitro-propane (CAS 762-98-1) 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.
2,2-dimethyl-1,3-dinitropropane
Also Known As: 2,2-Dimethyl-1,3-dinitropropane, 1,2-dimethylpropane, 2,2-Dimethyl-1,3-dinitro-propane, Propane, 2,2-dimethyl-1,3-dinitro-, 1,3-Dinitro-2,2-dimethylpropane
| Molecular Formula | C5H10N2O4 |
|---|---|
| Molecular Weight | 162.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.06406 |
| Heavy Atoms | 11 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 762-98-1 |
|---|---|
| SMILES | CC(C)(C[N+](=O)[O-])C[N+](=O)[O-] |
| InChIKey | IHFMWDOLRBNYBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethyl-1,3-dinitro-propane (CAS 762-98-1), with molecular formula C5H10N2O4 and molecular weight 162.06 g/mol. IUPAC: 2,2-dimethyl-1,3-dinitropropane.
Chemical Property Profile of 2,2-Dimethyl-1,3-dinitro-propane
Property Insights of 2,2-Dimethyl-1,3-dinitro-propane
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-1,3-dinitro-propane. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dimethyl-1,3-dinitro-propane. Following Lipinski's Rule of Five, 2,2-Dimethyl-1,3-dinitro-propane 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-Dimethyl-1,3-dinitro-propane?
The CAS number of 2,2-Dimethyl-1,3-dinitro-propane is 762-98-1.
What is the molecular formula of 2,2-Dimethyl-1,3-dinitro-propane?
The molecular formula of 2,2-Dimethyl-1,3-dinitro-propane is C5H10N2O4.
What is the molecular weight of 2,2-Dimethyl-1,3-dinitro-propane?
The molecular weight of 2,2-Dimethyl-1,3-dinitro-propane is 162.06 g/mol.
Where can I buy 2,2-Dimethyl-1,3-dinitro-propane?
You can request a quote for 2,2-Dimethyl-1,3-dinitro-propane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-1,3-dinitro-propane?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-1,3-dinitro-propane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.