5-Iodoisatin
TL;DR: 5-Iodoisatin (CAS 20780-76-1) is a chemical compound with molecular formula C8H4INO2 and molecular weight 272.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-iodo-1H-indole-2,3-dione
Also Known As: 5-Iodoisatin, 5-iodoindoline-2,3-dione, 5-Iodo-1H-indole-2,3-dione, 5-iodo-isatine, 5-iodo-isatin
| Molecular Formula | C8H4INO2 |
|---|---|
| Molecular Weight | 272.93 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 272.92868 |
| Heavy Atoms | 12 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 20780-76-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1I)C(=O)C(=O)N2 |
| InChIKey | OEUGDMOJQQLVAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Iodoisatin (CAS 20780-76-1), with molecular formula C8H4INO2 and molecular weight 272.93 g/mol. IUPAC: 5-iodo-1H-indole-2,3-dione.
Chemical Property Profile of 5-Iodoisatin
Property Insights of 5-Iodoisatin
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Iodoisatin. With a topological polar surface area (TPSA) of 46.2 Ų, 5-Iodoisatin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Iodoisatin 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-Iodoisatin?
The CAS number of 5-Iodoisatin is 20780-76-1.
What is the molecular formula of 5-Iodoisatin?
The molecular formula of 5-Iodoisatin is C8H4INO2.
What is the molecular weight of 5-Iodoisatin?
The molecular weight of 5-Iodoisatin is 272.93 g/mol.
Where can I buy 5-Iodoisatin?
You can request a quote for 5-Iodoisatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Iodoisatin?
Yes, KEHONG BIO provides custom synthesis services for 5-Iodoisatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.