1-Acetyl-2-methyl-5-nitroindoline
TL;DR: 1-Acetyl-2-methyl-5-nitroindoline (CAS 95545-02-1) is a chemical compound with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)ethanone
Also Known As: 1-acetyl-2-methyl-5-nitroindoline, 1-(2-Methyl-5-nitroindolin-1-yl)ethanone, 1-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)ethanone, 1-(2-methyl-5-nitro-2,3-dihydro-1H-indol-1-yl)ethan-1-one, 1-(2-methyl-5-nitro-indolin-1-yl)ethanone
| Molecular Formula | C11H12N2O3 |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 1.8923 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.0848 |
| Heavy Atoms | 16 |
| Complexity | 470.29752 |
Chemical Identifiers
| CAS Number | 95545-02-1 |
|---|---|
| SMILES | CC1CC2=C(N1C(=O)C)C=CC(=C2)[N+](=O)[O-] |
Product Overview
1-Acetyl-2-methyl-5-nitroindoline (CAS 95545-02-1), with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol. IUPAC: 1-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)ethanone.
Chemical Property Profile of 1-Acetyl-2-methyl-5-nitroindoline
Property Insights of 1-Acetyl-2-methyl-5-nitroindoline
The XLogP value of 1.8923 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetyl-2-methyl-5-nitroindoline. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acetyl-2-methyl-5-nitroindoline. Following Lipinski's Rule of Five, 1-Acetyl-2-methyl-5-nitroindoline has 0 hydrogen bond donor(s) and 3 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-2-methyl-5-nitroindoline?
The CAS number of 1-Acetyl-2-methyl-5-nitroindoline is 95545-02-1.
What is the molecular formula of 1-Acetyl-2-methyl-5-nitroindoline?
The molecular formula of 1-Acetyl-2-methyl-5-nitroindoline is C11H12N2O3.
What is the molecular weight of 1-Acetyl-2-methyl-5-nitroindoline?
The molecular weight of 1-Acetyl-2-methyl-5-nitroindoline is 220.08 g/mol.
Where can I buy 1-Acetyl-2-methyl-5-nitroindoline?
You can request a quote for 1-Acetyl-2-methyl-5-nitroindoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-2-methyl-5-nitroindoline?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-2-methyl-5-nitroindoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.