Ethoxycarbonylimino-(3-nitrophenyl)-oxidoazanium
TL;DR: Ethoxycarbonylimino-(3-nitrophenyl)-oxidoazanium (CAS 76869-83-5) is a chemical compound with molecular formula C9H9N3O5 and molecular weight 239.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethoxycarbonylimino-(3-nitrophenyl)-oxidoazanium
Also Known As: ethoxycarbonylimino-(3-nitrophenyl)-oxidoazanium, ETHOXYCARBONYLIMINO-(3-NITROPHENYL)-OXIDO-AZANIUM
| Molecular Formula | C9H9N3O5 |
|---|---|
| Molecular Weight | 239.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.05421 |
| Heavy Atoms | 17 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 76869-83-5 |
|---|---|
| SMILES | CCOC(=O)N=[N+](C1=CC(=CC=C1)[N+](=O)[O-])[O-] |
| InChIKey | HZCBYMPPEUEMAL-UHFFFAOYSA-N |
Product Overview
Ethoxycarbonylimino-(3-nitrophenyl)-oxidoazanium (CAS 76869-83-5), with molecular formula C9H9N3O5 and molecular weight 239.05 g/mol. IUPAC: ethoxycarbonylimino-(3-nitrophenyl)-oxidoazanium.
Chemical Property Profile of Ethoxycarbonylimino-(3-nitrophenyl)-oxidoazanium
Property Insights of Ethoxycarbonylimino-(3-nitrophenyl)-oxidoazanium
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethoxycarbonylimino-(3-nitrophenyl)-oxidoazanium. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethoxycarbonylimino-(3-nitrophenyl)-oxidoazanium. Following Lipinski's Rule of Five, Ethoxycarbonylimino-(3-nitrophenyl)-oxidoazanium 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 Ethoxycarbonylimino-(3-nitrophenyl)-oxidoazanium?
The CAS number of Ethoxycarbonylimino-(3-nitrophenyl)-oxidoazanium is 76869-83-5.
What is the molecular formula of Ethoxycarbonylimino-(3-nitrophenyl)-oxidoazanium?
The molecular formula of Ethoxycarbonylimino-(3-nitrophenyl)-oxidoazanium is C9H9N3O5.
What is the molecular weight of Ethoxycarbonylimino-(3-nitrophenyl)-oxidoazanium?
The molecular weight of Ethoxycarbonylimino-(3-nitrophenyl)-oxidoazanium is 239.05 g/mol.
Where can I buy Ethoxycarbonylimino-(3-nitrophenyl)-oxidoazanium?
You can request a quote for Ethoxycarbonylimino-(3-nitrophenyl)-oxidoazanium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethoxycarbonylimino-(3-nitrophenyl)-oxidoazanium?
Yes, KEHONG BIO provides custom synthesis services for Ethoxycarbonylimino-(3-nitrophenyl)-oxidoazanium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.