2,6-Dinitroheptane-1,7-diol
TL;DR: 2,6-Dinitroheptane-1,7-diol (CAS 89941-29-7) is a chemical compound with molecular formula C7H14N2O6 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dinitroheptane-1,7-diol
Also Known As: 2,6-dinitroheptane-1,7-diol, ghl.PD_Mitscher_leg0.1318
| Molecular Formula | C7H14N2O6 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.08519 |
| Heavy Atoms | 15 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 89941-29-7 |
|---|---|
| SMILES | C(CC(CO)[N+](=O)[O-])CC(CO)[N+](=O)[O-] |
| InChIKey | PNUSDWIBPOUKOB-UHFFFAOYSA-N |
Product Overview
2,6-Dinitroheptane-1,7-diol (CAS 89941-29-7), with molecular formula C7H14N2O6 and molecular weight 222.09 g/mol. IUPAC: 2,6-dinitroheptane-1,7-diol.
Chemical Property Profile of 2,6-Dinitroheptane-1,7-diol
Property Insights of 2,6-Dinitroheptane-1,7-diol
The XLogP value of -0.4 indicates that 2,6-Dinitroheptane-1,7-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 2,6-Dinitroheptane-1,7-diol. Following Lipinski's Rule of Five, 2,6-Dinitroheptane-1,7-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 2,6-Dinitroheptane-1,7-diol?
The CAS number of 2,6-Dinitroheptane-1,7-diol is 89941-29-7.
What is the molecular formula of 2,6-Dinitroheptane-1,7-diol?
The molecular formula of 2,6-Dinitroheptane-1,7-diol is C7H14N2O6.
What is the molecular weight of 2,6-Dinitroheptane-1,7-diol?
The molecular weight of 2,6-Dinitroheptane-1,7-diol is 222.09 g/mol.
Where can I buy 2,6-Dinitroheptane-1,7-diol?
You can request a quote for 2,6-Dinitroheptane-1,7-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dinitroheptane-1,7-diol?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dinitroheptane-1,7-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.