5,5-Dinitrohexane-1,2-diol
TL;DR: 5,5-Dinitrohexane-1,2-diol (CAS 5029-29-8) is a chemical compound with molecular formula C6H12N2O6 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dinitrohexane-1,2-diol
Also Known As: 5,5-dinitrohexane-1,2-diol, 5,5-dinitro-1,2-hexanediol, 5,5-Dinitro-hexan-1,2-diol
| Molecular Formula | C6H12N2O6 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.06953 |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 5029-29-8 |
|---|---|
| SMILES | CC(CCC(CO)O)([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HKKVEPQNDQLBLY-UHFFFAOYSA-N |
Product Overview
5,5-Dinitrohexane-1,2-diol (CAS 5029-29-8), with molecular formula C6H12N2O6 and molecular weight 208.07 g/mol. IUPAC: 5,5-dinitrohexane-1,2-diol.
Chemical Property Profile of 5,5-Dinitrohexane-1,2-diol
Property Insights of 5,5-Dinitrohexane-1,2-diol
The XLogP value of -0.3 indicates that 5,5-Dinitrohexane-1,2-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 5,5-Dinitrohexane-1,2-diol. Following Lipinski's Rule of Five, 5,5-Dinitrohexane-1,2-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 5,5-Dinitrohexane-1,2-diol?
The CAS number of 5,5-Dinitrohexane-1,2-diol is 5029-29-8.
What is the molecular formula of 5,5-Dinitrohexane-1,2-diol?
The molecular formula of 5,5-Dinitrohexane-1,2-diol is C6H12N2O6.
What is the molecular weight of 5,5-Dinitrohexane-1,2-diol?
The molecular weight of 5,5-Dinitrohexane-1,2-diol is 208.07 g/mol.
Where can I buy 5,5-Dinitrohexane-1,2-diol?
You can request a quote for 5,5-Dinitrohexane-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dinitrohexane-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dinitrohexane-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.