1-Methylisatin
TL;DR: 1-Methylisatin (CAS 2058-74-4) is a chemical compound with molecular formula C9H7NO2 and molecular weight 161.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylindole-2,3-dione
Also Known As: 1-Methylisatin, N-Methylisatin, 1-methylindoline-2,3-dione, 1-Methyl-1H-indole-2,3-dione, 1-methylindole-2,3-dione
| Molecular Formula | C9H7NO2 |
|---|---|
| Molecular Weight | 161.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.04768 |
| Heavy Atoms | 12 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 2058-74-4 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=O)C1=O |
| InChIKey | VCYBVWFTGAZHGH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methylisatin (CAS 2058-74-4), with molecular formula C9H7NO2 and molecular weight 161.05 g/mol. IUPAC: 1-methylindole-2,3-dione.
Chemical Property Profile of 1-Methylisatin
Property Insights of 1-Methylisatin
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylisatin. With a topological polar surface area (TPSA) of 37.4 Ų, 1-Methylisatin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylisatin has 0 hydrogen bond donor(s) and 2 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-Methylisatin?
The CAS number of 1-Methylisatin is 2058-74-4.
What is the molecular formula of 1-Methylisatin?
The molecular formula of 1-Methylisatin is C9H7NO2.
What is the molecular weight of 1-Methylisatin?
The molecular weight of 1-Methylisatin is 161.05 g/mol.
Where can I buy 1-Methylisatin?
You can request a quote for 1-Methylisatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylisatin?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylisatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.