1,6-Hexanediol dinitrate
TL;DR: 1,6-Hexanediol dinitrate (CAS 3457-93-0) 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.
6-nitrooxyhexyl nitrate
Also Known As: 1,6-Hexanediol dinitrate, Hexamethylene nitrate, 6-nitrooxyhexyl Nitrate, 1,6-hexane dinitrate, hexane-1,6-diol dinitrate
| Molecular Formula | C6H12N2O6 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 0.9634 |
| Topological Polar Surface Area | 104.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 208.06953 |
| Heavy Atoms | 14 |
| Complexity | 165.16054 |
Chemical Identifiers
| CAS Number | 3457-93-0 |
|---|---|
| SMILES | C(CCCO[N+](=O)[O-])CCO[N+](=O)[O-] |
Product Overview
1,6-Hexanediol dinitrate (CAS 3457-93-0), with molecular formula C6H12N2O6 and molecular weight 208.07 g/mol. IUPAC: 6-nitrooxyhexyl nitrate.
Chemical Property Profile of 1,6-Hexanediol dinitrate
Property Insights of 1,6-Hexanediol dinitrate
The XLogP value of 0.9634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-Hexanediol dinitrate. The TPSA of 104.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,6-Hexanediol dinitrate. Following Lipinski's Rule of Five, 1,6-Hexanediol dinitrate 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 1,6-Hexanediol dinitrate?
The CAS number of 1,6-Hexanediol dinitrate is 3457-93-0.
What is the molecular formula of 1,6-Hexanediol dinitrate?
The molecular formula of 1,6-Hexanediol dinitrate is C6H12N2O6.
What is the molecular weight of 1,6-Hexanediol dinitrate?
The molecular weight of 1,6-Hexanediol dinitrate is 208.07 g/mol.
Where can I buy 1,6-Hexanediol dinitrate?
You can request a quote for 1,6-Hexanediol dinitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Hexanediol dinitrate?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Hexanediol dinitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.