3-Ethyl-3-nitro-1-nitrosoazetidine
TL;DR: 3-Ethyl-3-nitro-1-nitrosoazetidine (CAS 157952-87-9) is a chemical compound with molecular formula C5H9N3O3 and molecular weight 159.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-3-nitro-1-nitrosoazetidine
Also Known As: 3-ethyl-3-nitro-1-nitrosoazetidine, 1-Nitroso-3-nitro-3-ethylazetidine, 3-ethyl-3-nitro-1-nitroso-azetidine, NCI60_027553, 3-Ethyl-3-(hydroxy(oxido)amino)-1-nitrosoazetidine
| Molecular Formula | C5H9N3O3 |
|---|---|
| Molecular Weight | 159.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.06439 |
| Heavy Atoms | 11 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 157952-87-9 |
|---|---|
| SMILES | CCC1(CN(C1)N=O)[N+](=O)[O-] |
| InChIKey | NBJPPEDGINAGOH-UHFFFAOYSA-N |
Product Overview
3-Ethyl-3-nitro-1-nitrosoazetidine (CAS 157952-87-9), with molecular formula C5H9N3O3 and molecular weight 159.06 g/mol. IUPAC: 3-ethyl-3-nitro-1-nitrosoazetidine.
Chemical Property Profile of 3-Ethyl-3-nitro-1-nitrosoazetidine
Property Insights of 3-Ethyl-3-nitro-1-nitrosoazetidine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-3-nitro-1-nitrosoazetidine. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl-3-nitro-1-nitrosoazetidine. Following Lipinski's Rule of Five, 3-Ethyl-3-nitro-1-nitrosoazetidine 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 3-Ethyl-3-nitro-1-nitrosoazetidine?
The CAS number of 3-Ethyl-3-nitro-1-nitrosoazetidine is 157952-87-9.
What is the molecular formula of 3-Ethyl-3-nitro-1-nitrosoazetidine?
The molecular formula of 3-Ethyl-3-nitro-1-nitrosoazetidine is C5H9N3O3.
What is the molecular weight of 3-Ethyl-3-nitro-1-nitrosoazetidine?
The molecular weight of 3-Ethyl-3-nitro-1-nitrosoazetidine is 159.06 g/mol.
Where can I buy 3-Ethyl-3-nitro-1-nitrosoazetidine?
You can request a quote for 3-Ethyl-3-nitro-1-nitrosoazetidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-3-nitro-1-nitrosoazetidine?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-3-nitro-1-nitrosoazetidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.