1,1,1,3,5,5,5-Heptanitro-pentane
TL;DR: 1,1,1,3,5,5,5-Heptanitro-pentane (CAS 20919-99-7) is a chemical compound with molecular formula C5H5N7O14 and molecular weight 386.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,3,5,5,5-heptanitropentane
Also Known As: 1,1,1,3,5,5,5-heptanitropentane, 1,1,1,3,5,5,5-Heptanitro-pentane, QCCFVJPIRFTNPO-UHFFFAOYSA-, Pentane,1,1,1,3,5,5,5-heptanitro, Pentane,1,1,1,3,5,5,5-heptanitro-
| Molecular Formula | C5H5N7O14 |
|---|---|
| Molecular Weight | 386.99 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 321.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.98944 |
| Heavy Atoms | 26 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 20919-99-7 |
|---|---|
| SMILES | C(C(CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | QCCFVJPIRFTNPO-UHFFFAOYSA-N |
Product Overview
1,1,1,3,5,5,5-Heptanitro-pentane (CAS 20919-99-7), with molecular formula C5H5N7O14 and molecular weight 386.99 g/mol. IUPAC: 1,1,1,3,5,5,5-heptanitropentane.
Chemical Property Profile of 1,1,1,3,5,5,5-Heptanitro-pentane
Property Insights of 1,1,1,3,5,5,5-Heptanitro-pentane
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1,3,5,5,5-Heptanitro-pentane. The TPSA of 321.0 Ų indicates high polarity, suggesting 1,1,1,3,5,5,5-Heptanitro-pentane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,1,1,3,5,5,5-Heptanitro-pentane has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1,1,3,5,5,5-Heptanitro-pentane?
The CAS number of 1,1,1,3,5,5,5-Heptanitro-pentane is 20919-99-7.
What is the molecular formula of 1,1,1,3,5,5,5-Heptanitro-pentane?
The molecular formula of 1,1,1,3,5,5,5-Heptanitro-pentane is C5H5N7O14.
What is the molecular weight of 1,1,1,3,5,5,5-Heptanitro-pentane?
The molecular weight of 1,1,1,3,5,5,5-Heptanitro-pentane is 386.99 g/mol.
Where can I buy 1,1,1,3,5,5,5-Heptanitro-pentane?
You can request a quote for 1,1,1,3,5,5,5-Heptanitro-pentane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,3,5,5,5-Heptanitro-pentane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,3,5,5,5-Heptanitro-pentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.