1-Acetyl-5-chloro-1H-indole-2,3-dione
TL;DR: 1-Acetyl-5-chloro-1H-indole-2,3-dione (CAS 126719-06-0) is a chemical compound with molecular formula C10H6ClNO3 and molecular weight 223.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-acetyl-5-chloroindole-2,3-dione
Also Known As: 1-acetyl-5-chloroisatin, 1-Acetyl-5-chloro-1H-indole-2,3-dione, 5-chloro-1-acetyl-indole-2,3-dione, 1-acetyl-5-chloroindole-2,3-dione, 1-acetyl-5-chloro-indoline-2,3-dione
| Molecular Formula | C10H6ClNO3 |
|---|---|
| Molecular Weight | 223.00 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 223.00362 |
| Heavy Atoms | 15 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 126719-06-0 |
|---|---|
| SMILES | CC(=O)N1C2=C(C=C(C=C2)Cl)C(=O)C1=O |
| InChIKey | JQIWWFPOUCJCEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Acetyl-5-chloro-1H-indole-2,3-dione (CAS 126719-06-0), with molecular formula C10H6ClNO3 and molecular weight 223.00 g/mol. IUPAC: 1-acetyl-5-chloroindole-2,3-dione.
Chemical Property Profile of 1-Acetyl-5-chloro-1H-indole-2,3-dione
Property Insights of 1-Acetyl-5-chloro-1H-indole-2,3-dione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetyl-5-chloro-1H-indole-2,3-dione. With a topological polar surface area (TPSA) of 54.5 Ų, 1-Acetyl-5-chloro-1H-indole-2,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetyl-5-chloro-1H-indole-2,3-dione has 0 hydrogen bond donor(s) and 3 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-Acetyl-5-chloro-1H-indole-2,3-dione?
The CAS number of 1-Acetyl-5-chloro-1H-indole-2,3-dione is 126719-06-0.
What is the molecular formula of 1-Acetyl-5-chloro-1H-indole-2,3-dione?
The molecular formula of 1-Acetyl-5-chloro-1H-indole-2,3-dione is C10H6ClNO3.
What is the molecular weight of 1-Acetyl-5-chloro-1H-indole-2,3-dione?
The molecular weight of 1-Acetyl-5-chloro-1H-indole-2,3-dione is 223.00 g/mol.
Where can I buy 1-Acetyl-5-chloro-1H-indole-2,3-dione?
You can request a quote for 1-Acetyl-5-chloro-1H-indole-2,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-5-chloro-1H-indole-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-5-chloro-1H-indole-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.