5,9-Dinitrotridecane-2,12-dione
TL;DR: 5,9-Dinitrotridecane-2,12-dione (CAS 7404-81-1) is a chemical compound with molecular formula C13H22N2O6 and molecular weight 302.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,9-dinitrotridecane-2,12-dione
Also Known As: 5,9-dinitrotridecane-2,12-dione
| Molecular Formula | C13H22N2O6 |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 302.1478 |
| Heavy Atoms | 21 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 7404-81-1 |
|---|---|
| SMILES | CC(=O)CCC(CCCC(CCC(=O)C)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | UFIRUAZYPUGOBZ-UHFFFAOYSA-N |
Product Overview
5,9-Dinitrotridecane-2,12-dione (CAS 7404-81-1), with molecular formula C13H22N2O6 and molecular weight 302.15 g/mol. IUPAC: 5,9-dinitrotridecane-2,12-dione.
Chemical Property Profile of 5,9-Dinitrotridecane-2,12-dione
Property Insights of 5,9-Dinitrotridecane-2,12-dione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,9-Dinitrotridecane-2,12-dione. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,9-Dinitrotridecane-2,12-dione. Following Lipinski's Rule of Five, 5,9-Dinitrotridecane-2,12-dione 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 5,9-Dinitrotridecane-2,12-dione?
The CAS number of 5,9-Dinitrotridecane-2,12-dione is 7404-81-1.
What is the molecular formula of 5,9-Dinitrotridecane-2,12-dione?
The molecular formula of 5,9-Dinitrotridecane-2,12-dione is C13H22N2O6.
What is the molecular weight of 5,9-Dinitrotridecane-2,12-dione?
The molecular weight of 5,9-Dinitrotridecane-2,12-dione is 302.15 g/mol.
Where can I buy 5,9-Dinitrotridecane-2,12-dione?
You can request a quote for 5,9-Dinitrotridecane-2,12-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,9-Dinitrotridecane-2,12-dione?
Yes, KEHONG BIO provides custom synthesis services for 5,9-Dinitrotridecane-2,12-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.