Propatyl Nitrate
TL;DR: Propatyl Nitrate (CAS 2921-92-8) is a chemical compound with molecular formula C6H11N3O9 and molecular weight 269.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Propatyl Nitrate
2,2-bis(nitrooxymethyl)butyl nitrate
Also Known As: Propatyl nitrate, Propatylnitrate, Etrynit, Propatilnitrato, Propatylnitratum
| Molecular Formula | C6H11N3O9 |
|---|---|
| Molecular Weight | 269.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 269.04953 |
| Heavy Atoms | 18 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 2921-92-8 |
|---|---|
| SMILES | CCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-] |
| InChIKey | YZZCJYJBCUJISI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propatyl Nitrate (CAS 2921-92-8), with molecular formula C6H11N3O9 and molecular weight 269.05 g/mol. IUPAC: 2,2-bis(nitrooxymethyl)butyl nitrate.
Chemical Property Profile of Propatyl Nitrate
Property Insights of Propatyl Nitrate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propatyl Nitrate. The TPSA of 165.0 Ų indicates high polarity, suggesting Propatyl Nitrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Propatyl Nitrate has 0 hydrogen bond donor(s) and 9 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 Propatyl Nitrate?
The CAS number of Propatyl Nitrate is 2921-92-8.
What is the molecular formula of Propatyl Nitrate?
The molecular formula of Propatyl Nitrate is C6H11N3O9.
What is the molecular weight of Propatyl Nitrate?
The molecular weight of Propatyl Nitrate is 269.05 g/mol.
Where can I buy Propatyl Nitrate?
You can request a quote for Propatyl Nitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propatyl Nitrate?
Yes, KEHONG BIO provides custom synthesis services for Propatyl Nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.