2,4,6-Trinitrophenoxyethyl nitrate
TL;DR: 2,4,6-Trinitrophenoxyethyl nitrate (CAS 62030-33-5) is a chemical compound with molecular formula C8H6N4O10 and molecular weight 318.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-hydroxy-2-(2,4,6-trinitrophenyl)ethyl] nitrate
Also Known As: 2-picryloxyethyl nitrate, 2,4,6-Trinitrophenoxyethyl nitrate, 2-Hydroxy-2-(2,4,6-trinitrophenyl)ethyl nitrate, [2-hydroxy-2-(2,4,6-trinitrophenyl)ethyl] nitrate
| Molecular Formula | C8H6N4O10 |
|---|---|
| Molecular Weight | 318.01 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 213.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.0084 |
| Heavy Atoms | 22 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 62030-33-5 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])C(CO[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | FZGJOYSOYXPXNM-UHFFFAOYSA-N |
Product Overview
2,4,6-Trinitrophenoxyethyl nitrate (CAS 62030-33-5), with molecular formula C8H6N4O10 and molecular weight 318.01 g/mol. IUPAC: [2-hydroxy-2-(2,4,6-trinitrophenyl)ethyl] nitrate.
Chemical Property Profile of 2,4,6-Trinitrophenoxyethyl nitrate
Property Insights of 2,4,6-Trinitrophenoxyethyl nitrate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trinitrophenoxyethyl nitrate. The TPSA of 213.0 Ų indicates high polarity, suggesting 2,4,6-Trinitrophenoxyethyl nitrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-Trinitrophenoxyethyl nitrate has 1 hydrogen bond donor(s) and 10 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 2,4,6-Trinitrophenoxyethyl nitrate?
The CAS number of 2,4,6-Trinitrophenoxyethyl nitrate is 62030-33-5.
What is the molecular formula of 2,4,6-Trinitrophenoxyethyl nitrate?
The molecular formula of 2,4,6-Trinitrophenoxyethyl nitrate is C8H6N4O10.
What is the molecular weight of 2,4,6-Trinitrophenoxyethyl nitrate?
The molecular weight of 2,4,6-Trinitrophenoxyethyl nitrate is 318.01 g/mol.
Where can I buy 2,4,6-Trinitrophenoxyethyl nitrate?
You can request a quote for 2,4,6-Trinitrophenoxyethyl nitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trinitrophenoxyethyl nitrate?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trinitrophenoxyethyl nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.