2,2-Dinitropropane-1,3-diol
TL;DR: 2,2-Dinitropropane-1,3-diol (CAS 2736-80-3) is a chemical compound with molecular formula C3H6N2O6 and molecular weight 166.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dinitropropane-1,3-diol
Also Known As: 2,2-Dinitropropane-1,3-diol, 2,3-Propanediol, 2,2-Dinitro-1,3-propanediol, 1,3-Propanediol, 2,2-dinitro-, 1, 2,2-dinitro-
| Molecular Formula | C3H6N2O6 |
|---|---|
| Molecular Weight | 166.02 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.02258 |
| Heavy Atoms | 11 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 2736-80-3 |
|---|---|
| SMILES | C(C(CO)([N+](=O)[O-])[N+](=O)[O-])O |
| InChIKey | IUKKSAGYDLAHGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dinitropropane-1,3-diol (CAS 2736-80-3), with molecular formula C3H6N2O6 and molecular weight 166.02 g/mol. IUPAC: 2,2-dinitropropane-1,3-diol.
Chemical Property Profile of 2,2-Dinitropropane-1,3-diol
Property Insights of 2,2-Dinitropropane-1,3-diol
The XLogP value of -1.4 indicates that 2,2-Dinitropropane-1,3-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dinitropropane-1,3-diol. Following Lipinski's Rule of Five, 2,2-Dinitropropane-1,3-diol has 2 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 2,2-Dinitropropane-1,3-diol?
The CAS number of 2,2-Dinitropropane-1,3-diol is 2736-80-3.
What is the molecular formula of 2,2-Dinitropropane-1,3-diol?
The molecular formula of 2,2-Dinitropropane-1,3-diol is C3H6N2O6.
What is the molecular weight of 2,2-Dinitropropane-1,3-diol?
The molecular weight of 2,2-Dinitropropane-1,3-diol is 166.02 g/mol.
Where can I buy 2,2-Dinitropropane-1,3-diol?
You can request a quote for 2,2-Dinitropropane-1,3-diol 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-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dinitropropane-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.