![[2-Nitro-1-(2-nitrophenyl)ethyl] nitrate structure](/static/products/5816/5816-93-3.webp)
[2-Nitro-1-(2-nitrophenyl)ethyl] nitrate
TL;DR: [2-Nitro-1-(2-nitrophenyl)ethyl] nitrate (CAS 5816-93-3) is a chemical compound with molecular formula C8H7N3O7 and molecular weight 257.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-nitro-1-(2-nitrophenyl)ethyl] nitrate
Also Known As: [2-nitro-1-(2-nitrophenyl)ethyl] nitrate|2-Nitro-1-(2-nitrophenyl)ethyl nitrate|nitro[2-nitro-1-(2-nitrophenyl)ethyl]oxy
| Molecular Formula | C8H7N3O7 |
|---|---|
| Molecular Weight | 257.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.0284 |
| Heavy Atoms | 18 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 5816-93-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(C[N+](=O)[O-])O[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | JFCCUOZCLVHJGY-UHFFFAOYSA-N |
Product Overview
[2-Nitro-1-(2-nitrophenyl)ethyl] nitrate (CAS 5816-93-3), with molecular formula C8H7N3O7 and molecular weight 257.03 g/mol. IUPAC: [2-nitro-1-(2-nitrophenyl)ethyl] nitrate.
Chemical Property Profile of [2-Nitro-1-(2-nitrophenyl)ethyl] nitrate
Property Insights of [2-Nitro-1-(2-nitrophenyl)ethyl] nitrate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-Nitro-1-(2-nitrophenyl)ethyl] nitrate. The TPSA of 147.0 Ų indicates high polarity, suggesting [2-Nitro-1-(2-nitrophenyl)ethyl] nitrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [2-Nitro-1-(2-nitrophenyl)ethyl] nitrate has 0 hydrogen bond donor(s) and 7 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-Nitro-1-(2-nitrophenyl)ethyl] nitrate?
The CAS number of [2-Nitro-1-(2-nitrophenyl)ethyl] nitrate is 5816-93-3.
What is the molecular formula of [2-Nitro-1-(2-nitrophenyl)ethyl] nitrate?
The molecular formula of [2-Nitro-1-(2-nitrophenyl)ethyl] nitrate is C8H7N3O7.
What is the molecular weight of [2-Nitro-1-(2-nitrophenyl)ethyl] nitrate?
The molecular weight of [2-Nitro-1-(2-nitrophenyl)ethyl] nitrate is 257.03 g/mol.
Where can I buy [2-Nitro-1-(2-nitrophenyl)ethyl] nitrate?
You can request a quote for [2-Nitro-1-(2-nitrophenyl)ethyl] nitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-Nitro-1-(2-nitrophenyl)ethyl] nitrate?
Yes, KEHONG BIO provides custom synthesis services for [2-Nitro-1-(2-nitrophenyl)ethyl] nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.