1-Acetyl-5,7-dinitroindoline
TL;DR: 1-Acetyl-5,7-dinitroindoline (CAS 62796-78-5) is a chemical compound with molecular formula C10H9N3O5 and molecular weight 251.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5,7-dinitro-2,3-dihydroindol-1-yl)ethanone
Also Known As: 1-Acetyl-5,7-dinitroindoline, 1-Acetyl-5.7-dinitro-indolin, 1-(5,7-dinitro-2,3-dihydroindol-1-yl)ethanone, 1-Acetyl-5,7-dinitroindoline #, 1H-Indole, 1-acetyl-2,3-dihydro-5,7-dinitro-
| Molecular Formula | C10H9N3O5 |
|---|---|
| Molecular Weight | 251.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 251.05421 |
| Heavy Atoms | 18 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 62796-78-5 |
|---|---|
| SMILES | CC(=O)N1CCC2=C1C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | KQQKPOGPCKAIFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Acetyl-5,7-dinitroindoline (CAS 62796-78-5), with molecular formula C10H9N3O5 and molecular weight 251.05 g/mol. IUPAC: 1-(5,7-dinitro-2,3-dihydroindol-1-yl)ethanone.
Chemical Property Profile of 1-Acetyl-5,7-dinitroindoline
Property Insights of 1-Acetyl-5,7-dinitroindoline
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetyl-5,7-dinitroindoline. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acetyl-5,7-dinitroindoline. Following Lipinski's Rule of Five, 1-Acetyl-5,7-dinitroindoline 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 1-Acetyl-5,7-dinitroindoline?
The CAS number of 1-Acetyl-5,7-dinitroindoline is 62796-78-5.
What is the molecular formula of 1-Acetyl-5,7-dinitroindoline?
The molecular formula of 1-Acetyl-5,7-dinitroindoline is C10H9N3O5.
What is the molecular weight of 1-Acetyl-5,7-dinitroindoline?
The molecular weight of 1-Acetyl-5,7-dinitroindoline is 251.05 g/mol.
Where can I buy 1-Acetyl-5,7-dinitroindoline?
You can request a quote for 1-Acetyl-5,7-dinitroindoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-5,7-dinitroindoline?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-5,7-dinitroindoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.