5-Bromo-1-methylisatin
TL;DR: 5-Bromo-1-methylisatin (CAS 2058-72-2) is a chemical compound with molecular formula C9H6BrNO2 and molecular weight 238.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1-methylindole-2,3-dione
Also Known As: 5-Bromo-1-methylisatin, 5-BROMO-1-METHYLINDOLINE-2,3-DIONE, 5-bromo-1-methyl-1H-indole-2,3-dione, 5-bromo-1-methylindole-2,3-dione, 5-Bromo-1-methyl-isatin
| Molecular Formula | C9H6BrNO2 |
|---|---|
| Molecular Weight | 238.96 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 238.95819 |
| Heavy Atoms | 13 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 2058-72-2 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)Br)C(=O)C1=O |
| InChIKey | GEEDYJPPYNIZLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromo-1-methylisatin (CAS 2058-72-2), with molecular formula C9H6BrNO2 and molecular weight 238.96 g/mol. IUPAC: 5-bromo-1-methylindole-2,3-dione.
Chemical Property Profile of 5-Bromo-1-methylisatin
Property Insights of 5-Bromo-1-methylisatin
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-1-methylisatin. With a topological polar surface area (TPSA) of 37.4 Ų, 5-Bromo-1-methylisatin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-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 5-Bromo-1-methylisatin?
The CAS number of 5-Bromo-1-methylisatin is 2058-72-2.
What is the molecular formula of 5-Bromo-1-methylisatin?
The molecular formula of 5-Bromo-1-methylisatin is C9H6BrNO2.
What is the molecular weight of 5-Bromo-1-methylisatin?
The molecular weight of 5-Bromo-1-methylisatin is 238.96 g/mol.
Where can I buy 5-Bromo-1-methylisatin?
You can request a quote for 5-Bromo-1-methylisatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-1-methylisatin?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-1-methylisatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.