3-(1H-indol-3-yl)-2-oxobutanoic acid
TL;DR: 3-(1H-indol-3-yl)-2-oxobutanoic acid (CAS 21193-60-2) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-indol-3-yl)-2-oxobutanoic acid
Also Known As: 3-Methylindolepyruvate, 3-(1H-indol-3-yl)-2-oxobutanoic acid, 3-(indol-3-yl)-2-oxobutyric acid, 3-(1H-Indole-3-yl)-2-oxobutanoic acid, J2.756.638C
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 21193-60-2 |
|---|---|
| SMILES | CC(C1=CNC2=CC=CC=C21)C(=O)C(=O)O |
| InChIKey | VSANSNPZLCXLRK-UHFFFAOYSA-N |
Product Overview
3-(1H-indol-3-yl)-2-oxobutanoic acid (CAS 21193-60-2), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: 3-(1H-indol-3-yl)-2-oxobutanoic acid.
Chemical Property Profile of 3-(1H-indol-3-yl)-2-oxobutanoic acid
Property Insights of 3-(1H-indol-3-yl)-2-oxobutanoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-indol-3-yl)-2-oxobutanoic acid. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1H-indol-3-yl)-2-oxobutanoic acid. Following Lipinski's Rule of Five, 3-(1H-indol-3-yl)-2-oxobutanoic acid has 2 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 3-(1H-indol-3-yl)-2-oxobutanoic acid?
The CAS number of 3-(1H-indol-3-yl)-2-oxobutanoic acid is 21193-60-2.
What is the molecular formula of 3-(1H-indol-3-yl)-2-oxobutanoic acid?
The molecular formula of 3-(1H-indol-3-yl)-2-oxobutanoic acid is C12H11NO3.
What is the molecular weight of 3-(1H-indol-3-yl)-2-oxobutanoic acid?
The molecular weight of 3-(1H-indol-3-yl)-2-oxobutanoic acid is 217.07 g/mol.
Where can I buy 3-(1H-indol-3-yl)-2-oxobutanoic acid?
You can request a quote for 3-(1H-indol-3-yl)-2-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1H-indol-3-yl)-2-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-indol-3-yl)-2-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.