2,4-Dinitrooxy-pentane
TL;DR: 2,4-Dinitrooxy-pentane (CAS 101421-04-9) is a chemical compound with molecular formula C5H10N2O6 and molecular weight 194.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitrooxypentan-2-yl nitrate
Also Known As: 2,4-dinitrooxy-pentane, 1,4-pentanediol, dinitrate, 2,4-bis(nitrooxy)pentane, 2,4-Pentanediol, dinitrate, 2,4-PENTYLDINITRATE
| Molecular Formula | C5H10N2O6 |
|---|---|
| Molecular Weight | 194.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.05388 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 101421-04-9 |
|---|---|
| SMILES | CC(CC(C)O[N+](=O)[O-])O[N+](=O)[O-] |
| InChIKey | XVWLQUXGMQFTPO-UHFFFAOYSA-N |
Product Overview
2,4-Dinitrooxy-pentane (CAS 101421-04-9), with molecular formula C5H10N2O6 and molecular weight 194.05 g/mol. IUPAC: 4-nitrooxypentan-2-yl nitrate.
Chemical Property Profile of 2,4-Dinitrooxy-pentane
Property Insights of 2,4-Dinitrooxy-pentane
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dinitrooxy-pentane. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dinitrooxy-pentane. Following Lipinski's Rule of Five, 2,4-Dinitrooxy-pentane 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 2,4-Dinitrooxy-pentane?
The CAS number of 2,4-Dinitrooxy-pentane is 101421-04-9.
What is the molecular formula of 2,4-Dinitrooxy-pentane?
The molecular formula of 2,4-Dinitrooxy-pentane is C5H10N2O6.
What is the molecular weight of 2,4-Dinitrooxy-pentane?
The molecular weight of 2,4-Dinitrooxy-pentane is 194.05 g/mol.
Where can I buy 2,4-Dinitrooxy-pentane?
You can request a quote for 2,4-Dinitrooxy-pentane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dinitrooxy-pentane?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitrooxy-pentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.