1-(4,6-Dinitroindazol-1-yl)ethanone
TL;DR: 1-(4,6-Dinitroindazol-1-yl)ethanone (CAS 312510-34-2) is a chemical compound with molecular formula C9H6N4O5 and molecular weight 250.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,6-dinitroindazol-1-yl)ethanone
Also Known As: 1-(4,6-dinitroindazol-1-yl)ethanone, 1-acetyl-4,6-dinitro-1H-indazole, 1-acetyl-4,6-bisnitro-1H-indazole, 1-(4,6-dinitro-1H-indazol-1-yl)ethanone, 1-(4,6-DINITRO-1H-INDAZOL-1-YL)ETHAN-1-ONE
| Molecular Formula | C9H6N4O5 |
|---|---|
| Molecular Weight | 250.03 g/mol |
| LogP | 1.5128 |
| Topological Polar Surface Area | 121.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.03381 |
| Heavy Atoms | 18 |
| Complexity | 689.568 |
Chemical Identifiers
| CAS Number | 312510-34-2 |
|---|---|
| SMILES | CC(=O)N1C2=C(C=N1)C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1-(4,6-Dinitroindazol-1-yl)ethanone (CAS 312510-34-2), with molecular formula C9H6N4O5 and molecular weight 250.03 g/mol. IUPAC: 1-(4,6-dinitroindazol-1-yl)ethanone.
Chemical Property Profile of 1-(4,6-Dinitroindazol-1-yl)ethanone
Property Insights of 1-(4,6-Dinitroindazol-1-yl)ethanone
The XLogP value of 1.5128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4,6-Dinitroindazol-1-yl)ethanone. The TPSA of 121.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4,6-Dinitroindazol-1-yl)ethanone. Following Lipinski's Rule of Five, 1-(4,6-Dinitroindazol-1-yl)ethanone 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 1-(4,6-Dinitroindazol-1-yl)ethanone?
The CAS number of 1-(4,6-Dinitroindazol-1-yl)ethanone is 312510-34-2.
What is the molecular formula of 1-(4,6-Dinitroindazol-1-yl)ethanone?
The molecular formula of 1-(4,6-Dinitroindazol-1-yl)ethanone is C9H6N4O5.
What is the molecular weight of 1-(4,6-Dinitroindazol-1-yl)ethanone?
The molecular weight of 1-(4,6-Dinitroindazol-1-yl)ethanone is 250.03 g/mol.
Where can I buy 1-(4,6-Dinitroindazol-1-yl)ethanone?
You can request a quote for 1-(4,6-Dinitroindazol-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4,6-Dinitroindazol-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4,6-Dinitroindazol-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.