过氧丙酰硝酸酯
TL;DR: 过氧丙酰硝酸酯 (CAS 5796-89-4) is a chemical compound with molecular formula C3H5NO5 and molecular weight 135.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
过氧丙酰硝酸酯
nitro propaneperoxoate
Also Known As: nitro propaneperoxoate, PEROXYPROPIONYL NITRATE, POPN, propionyl peroxynitrate, Propionylnitro peroxide
| Molecular Formula | C3H5NO5 |
|---|---|
| Molecular Weight | 135.02 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 135.01677 |
| Heavy Atoms | 9 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 5796-89-4 |
|---|---|
| SMILES | CCC(=O)OO[N+](=O)[O-] |
| InChIKey | TXINBPKSWKFMNB-UHFFFAOYSA-N |
Product Overview
过氧丙酰硝酸酯 (CAS 5796-89-4), with molecular formula C3H5NO5 and molecular weight 135.02 g/mol. IUPAC: nitro propaneperoxoate.
Chemical Property Profile of 过氧丙酰硝酸酯
Property Insights of 过氧丙酰硝酸酯
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 过氧丙酰硝酸酯. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 过氧丙酰硝酸酯. Following Lipinski's Rule of Five, 过氧丙酰硝酸酯 has 0 hydrogen bond donor(s) and 5 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 过氧丙酰硝酸酯?
The CAS number of 过氧丙酰硝酸酯 is 5796-89-4.
What is the molecular formula of 过氧丙酰硝酸酯?
The molecular formula of 过氧丙酰硝酸酯 is C3H5NO5.
What is the molecular weight of 过氧丙酰硝酸酯?
The molecular weight of 过氧丙酰硝酸酯 is 135.02 g/mol.
Where can I buy 过氧丙酰硝酸酯?
You can request a quote for 过氧丙酰硝酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 过氧丙酰硝酸酯?
Yes, KEHONG BIO provides custom synthesis services for 过氧丙酰硝酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.