5-Methylisatin
TL;DR: 5-Methylisatin (CAS 608-05-9) 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.
5-methyl-1H-indole-2,3-dione
Also Known As: 5-Methylisatin, 5-Methylindoline-2,3-dione, 5-Methyl-1H-indole-2,3-dione, 5-Methylindole-2,3-dione, Isatin, 5-methyl-
| Molecular Formula | C9H7NO2 |
|---|---|
| Molecular Weight | 161.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.04768 |
| Heavy Atoms | 12 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 608-05-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=O)C2=O |
| InChIKey | VAJCSPZKMVQIAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methylisatin (CAS 608-05-9), with molecular formula C9H7NO2 and molecular weight 161.05 g/mol. IUPAC: 5-methyl-1H-indole-2,3-dione.
Chemical Property Profile of 5-Methylisatin
Property Insights of 5-Methylisatin
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methylisatin. With a topological polar surface area (TPSA) of 46.2 Ų, 5-Methylisatin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methylisatin has 1 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 5-Methylisatin?
The CAS number of 5-Methylisatin is 608-05-9.
What is the molecular formula of 5-Methylisatin?
The molecular formula of 5-Methylisatin is C9H7NO2.
What is the molecular weight of 5-Methylisatin?
The molecular weight of 5-Methylisatin is 161.05 g/mol.
Where can I buy 5-Methylisatin?
You can request a quote for 5-Methylisatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylisatin?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylisatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.