4,5-Dimethylisatin
TL;DR: 4,5-Dimethylisatin (CAS 100487-79-4) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethyl-1H-indole-2,3-dione
Also Known As: 4,5-Dimethylisatin, 4,5-dimethyl-1H-indole-2,3-dione, NCIOpen2_002151, 1H-Indole-2,3-dione, 4,5-dimethyl-, 4,5-Dimethyl-indolin-2,3-dion
| Molecular Formula | C10H9NO2 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.06332 |
| Heavy Atoms | 13 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 100487-79-4 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)NC(=O)C2=O)C |
| InChIKey | UZQSNRWCIFIUSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Dimethylisatin (CAS 100487-79-4), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: 4,5-dimethyl-1H-indole-2,3-dione.
Chemical Property Profile of 4,5-Dimethylisatin
Property Insights of 4,5-Dimethylisatin
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dimethylisatin. With a topological polar surface area (TPSA) of 46.2 Ų, 4,5-Dimethylisatin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dimethylisatin 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 4,5-Dimethylisatin?
The CAS number of 4,5-Dimethylisatin is 100487-79-4.
What is the molecular formula of 4,5-Dimethylisatin?
The molecular formula of 4,5-Dimethylisatin is C10H9NO2.
What is the molecular weight of 4,5-Dimethylisatin?
The molecular weight of 4,5-Dimethylisatin is 175.06 g/mol.
Where can I buy 4,5-Dimethylisatin?
You can request a quote for 4,5-Dimethylisatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dimethylisatin?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethylisatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.