![[3-(Nitrooxymethyl)oxetan-3-yl]methyl nitrate structure](/static/products/891/89181-72-6.png)
[3-(Nitrooxymethyl)oxetan-3-yl]methyl nitrate
TL;DR: [3-(Nitrooxymethyl)oxetan-3-yl]methyl nitrate (CAS 89181-72-6) is a chemical compound with molecular formula C5H8N2O7 and molecular weight 208.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(nitrooxymethyl)oxetan-3-yl]methyl nitrate
Also Known As: 3,3-bis-(nitroxymethyl)oxetane, [3-(nitrooxymethyl)oxetan-3-yl]methyl nitrate, 3,3-bis(hydroxymethyl)oxetane dinitrate, (Oxetane-3,3-diyl)bis(methylene) dinitrate
| Molecular Formula | C5H8N2O7 |
|---|---|
| Molecular Weight | 208.03 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.03316 |
| Heavy Atoms | 14 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 89181-72-6 |
|---|---|
| SMILES | C1C(CO1)(CO[N+](=O)[O-])CO[N+](=O)[O-] |
| InChIKey | FXOOIZSNBKQLDO-UHFFFAOYSA-N |
Product Overview
[3-(Nitrooxymethyl)oxetan-3-yl]methyl nitrate (CAS 89181-72-6), with molecular formula C5H8N2O7 and molecular weight 208.03 g/mol. IUPAC: [3-(nitrooxymethyl)oxetan-3-yl]methyl nitrate.
Chemical Property Profile of [3-(Nitrooxymethyl)oxetan-3-yl]methyl nitrate
Property Insights of [3-(Nitrooxymethyl)oxetan-3-yl]methyl nitrate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-(Nitrooxymethyl)oxetan-3-yl]methyl nitrate. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-(Nitrooxymethyl)oxetan-3-yl]methyl nitrate. Following Lipinski's Rule of Five, [3-(Nitrooxymethyl)oxetan-3-yl]methyl 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 [3-(Nitrooxymethyl)oxetan-3-yl]methyl nitrate?
The CAS number of [3-(Nitrooxymethyl)oxetan-3-yl]methyl nitrate is 89181-72-6.
What is the molecular formula of [3-(Nitrooxymethyl)oxetan-3-yl]methyl nitrate?
The molecular formula of [3-(Nitrooxymethyl)oxetan-3-yl]methyl nitrate is C5H8N2O7.
What is the molecular weight of [3-(Nitrooxymethyl)oxetan-3-yl]methyl nitrate?
The molecular weight of [3-(Nitrooxymethyl)oxetan-3-yl]methyl nitrate is 208.03 g/mol.
Where can I buy [3-(Nitrooxymethyl)oxetan-3-yl]methyl nitrate?
You can request a quote for [3-(Nitrooxymethyl)oxetan-3-yl]methyl nitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(Nitrooxymethyl)oxetan-3-yl]methyl nitrate?
Yes, KEHONG BIO provides custom synthesis services for [3-(Nitrooxymethyl)oxetan-3-yl]methyl nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.