(3-Ethyl-1-nitroazetidin-3-yl) nitrate
TL;DR: (3-Ethyl-1-nitroazetidin-3-yl) nitrate (CAS 155141-07-4) is a chemical compound with molecular formula C5H9N3O5 and molecular weight 191.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-ethyl-1-nitroazetidin-3-yl) nitrate
Also Known As: N-nitro-3-ethyl-3-(nitrooxy)azetidine, NCI60_027554, 3-ethyl-1-nitroazetidin-3-yl nitrate, (3-ethyl-1-nitroazetidin-3-yl) nitrate, 3beta-Ethyl-3-(nitrooxy)-1-nitroazetidine
| Molecular Formula | C5H9N3O5 |
|---|---|
| Molecular Weight | 191.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.05421 |
| Heavy Atoms | 13 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 155141-07-4 |
|---|---|
| SMILES | CCC1(CN(C1)[N+](=O)[O-])O[N+](=O)[O-] |
| InChIKey | YBNAPOXGHFUUGH-UHFFFAOYSA-N |
Product Overview
(3-Ethyl-1-nitroazetidin-3-yl) nitrate (CAS 155141-07-4), with molecular formula C5H9N3O5 and molecular weight 191.05 g/mol. IUPAC: (3-ethyl-1-nitroazetidin-3-yl) nitrate.
Chemical Property Profile of (3-Ethyl-1-nitroazetidin-3-yl) nitrate
Property Insights of (3-Ethyl-1-nitroazetidin-3-yl) nitrate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Ethyl-1-nitroazetidin-3-yl) nitrate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Ethyl-1-nitroazetidin-3-yl) nitrate. Following Lipinski's Rule of Five, (3-Ethyl-1-nitroazetidin-3-yl) nitrate has 0 hydrogen bond donor(s) and 6 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-Ethyl-1-nitroazetidin-3-yl) nitrate?
The CAS number of (3-Ethyl-1-nitroazetidin-3-yl) nitrate is 155141-07-4.
What is the molecular formula of (3-Ethyl-1-nitroazetidin-3-yl) nitrate?
The molecular formula of (3-Ethyl-1-nitroazetidin-3-yl) nitrate is C5H9N3O5.
What is the molecular weight of (3-Ethyl-1-nitroazetidin-3-yl) nitrate?
The molecular weight of (3-Ethyl-1-nitroazetidin-3-yl) nitrate is 191.05 g/mol.
Where can I buy (3-Ethyl-1-nitroazetidin-3-yl) nitrate?
You can request a quote for (3-Ethyl-1-nitroazetidin-3-yl) nitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Ethyl-1-nitroazetidin-3-yl) nitrate?
Yes, KEHONG BIO provides custom synthesis services for (3-Ethyl-1-nitroazetidin-3-yl) nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.