Pentaerythritol dinitrate
TL;DR: Pentaerythritol dinitrate (CAS 1607-01-8) is a chemical compound with molecular formula C5H10N2O8 and molecular weight 226.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2-bis(hydroxymethyl)-3-nitrooxypropyl] nitrate
Also Known As: Pentaerythritol dinitrate, PET, dinitrate, PEDN, Pentaerythritol, dinitrate, Pentaerithrityl dinitrate
| Molecular Formula | C5H10N2O8 |
|---|---|
| Molecular Weight | 226.04 g/mol |
| LogP | -1.626 |
| Topological Polar Surface Area | 145.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 226.04372 |
| Heavy Atoms | 15 |
| Complexity | 207.07191 |
Chemical Identifiers
| CAS Number | 1607-01-8 |
|---|---|
| SMILES | C(C(CO)(CO[N+](=O)[O-])CO[N+](=O)[O-])O |
Product Overview
Pentaerythritol dinitrate (CAS 1607-01-8), with molecular formula C5H10N2O8 and molecular weight 226.04 g/mol. IUPAC: [2,2-bis(hydroxymethyl)-3-nitrooxypropyl] nitrate.
Chemical Property Profile of Pentaerythritol dinitrate
Property Insights of Pentaerythritol dinitrate
The XLogP value of -1.626 indicates that Pentaerythritol dinitrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.2 Ų indicates high polarity, suggesting Pentaerythritol dinitrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentaerythritol dinitrate has 2 hydrogen bond donor(s) and 8 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 Pentaerythritol dinitrate?
The CAS number of Pentaerythritol dinitrate is 1607-01-8.
What is the molecular formula of Pentaerythritol dinitrate?
The molecular formula of Pentaerythritol dinitrate is C5H10N2O8.
What is the molecular weight of Pentaerythritol dinitrate?
The molecular weight of Pentaerythritol dinitrate is 226.04 g/mol.
Where can I buy Pentaerythritol dinitrate?
You can request a quote for Pentaerythritol dinitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentaerythritol dinitrate?
Yes, KEHONG BIO provides custom synthesis services for Pentaerythritol dinitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.