(2S)-5,6-dioxo-2,4-dihydro-1H-indole-2-carboxylic acid
TL;DR: (2S)-5,6-dioxo-2,4-dihydro-1H-indole-2-carboxylic acid (CAS 89762-39-0) is a chemical compound with molecular formula C9H7NO4 and molecular weight 193.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-5,6-dioxo-2,4-dihydro-1H-indole-2-carboxylic acid
Also Known As: L-dopachrome, (2S)-5,6-dioxo-2,4-dihydro-1H-indole-2-carboxylic acid, (2S)-5,6-dioxo-2,4,5,6-tetrahydro-1H-indole-2-carboxylic acid
| Molecular Formula | C9H7NO4 |
|---|---|
| Molecular Weight | 193.04 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.0375 |
| Heavy Atoms | 14 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 89762-39-0 |
|---|---|
| SMILES | C1C2=C[C@H](NC2=CC(=O)C1=O)C(=O)O |
| InChIKey | CKZOQLKEDKSKJR-LURJTMIESA-N |
Product Overview
(2S)-5,6-dioxo-2,4-dihydro-1H-indole-2-carboxylic acid (CAS 89762-39-0), with molecular formula C9H7NO4 and molecular weight 193.04 g/mol. IUPAC: (2S)-5,6-dioxo-2,4-dihydro-1H-indole-2-carboxylic acid.
Chemical Property Profile of (2S)-5,6-dioxo-2,4-dihydro-1H-indole-2-carboxylic acid
Property Insights of (2S)-5,6-dioxo-2,4-dihydro-1H-indole-2-carboxylic acid
The XLogP value of -0.8 indicates that (2S)-5,6-dioxo-2,4-dihydro-1H-indole-2-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-5,6-dioxo-2,4-dihydro-1H-indole-2-carboxylic acid. Following Lipinski's Rule of Five, (2S)-5,6-dioxo-2,4-dihydro-1H-indole-2-carboxylic acid has 2 hydrogen bond donor(s) and 5 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 (2S)-5,6-dioxo-2,4-dihydro-1H-indole-2-carboxylic acid?
The CAS number of (2S)-5,6-dioxo-2,4-dihydro-1H-indole-2-carboxylic acid is 89762-39-0.
What is the molecular formula of (2S)-5,6-dioxo-2,4-dihydro-1H-indole-2-carboxylic acid?
The molecular formula of (2S)-5,6-dioxo-2,4-dihydro-1H-indole-2-carboxylic acid is C9H7NO4.
What is the molecular weight of (2S)-5,6-dioxo-2,4-dihydro-1H-indole-2-carboxylic acid?
The molecular weight of (2S)-5,6-dioxo-2,4-dihydro-1H-indole-2-carboxylic acid is 193.04 g/mol.
Where can I buy (2S)-5,6-dioxo-2,4-dihydro-1H-indole-2-carboxylic acid?
You can request a quote for (2S)-5,6-dioxo-2,4-dihydro-1H-indole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-5,6-dioxo-2,4-dihydro-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-5,6-dioxo-2,4-dihydro-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.