3-(6-chloro-1H-indol-3-yl)-2-oxopropanoic acid
TL;DR: 3-(6-chloro-1H-indol-3-yl)-2-oxopropanoic acid (CAS 135963-58-5) is a chemical compound with molecular formula C11H8ClNO3 and molecular weight 237.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-chloro-1H-indol-3-yl)-2-oxopropanoic acid
Also Known As: 6-chloro-indole-3-yl-pyruvic acid, 3-(6-chloro-1H-indol-3-yl)-2-oxopropanoic acid, 3-(6-chloro-1H-indol-3-yl)-2-oxo-propanoic Acid
| Molecular Formula | C11H8ClNO3 |
|---|---|
| Molecular Weight | 237.02 g/mol |
| LogP | 2.0175 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.01927 |
| Heavy Atoms | 16 |
| Complexity | 573.6134 |
Chemical Identifiers
| CAS Number | 135963-58-5 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)NC=C2CC(=O)C(=O)O |
Product Overview
3-(6-chloro-1H-indol-3-yl)-2-oxopropanoic acid (CAS 135963-58-5), with molecular formula C11H8ClNO3 and molecular weight 237.02 g/mol. IUPAC: 3-(6-chloro-1H-indol-3-yl)-2-oxopropanoic acid.
Chemical Property Profile of 3-(6-chloro-1H-indol-3-yl)-2-oxopropanoic acid
Property Insights of 3-(6-chloro-1H-indol-3-yl)-2-oxopropanoic acid
The XLogP value of 2.0175 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(6-chloro-1H-indol-3-yl)-2-oxopropanoic acid. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6-chloro-1H-indol-3-yl)-2-oxopropanoic acid. Following Lipinski's Rule of Five, 3-(6-chloro-1H-indol-3-yl)-2-oxopropanoic acid has 2 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 3-(6-chloro-1H-indol-3-yl)-2-oxopropanoic acid?
The CAS number of 3-(6-chloro-1H-indol-3-yl)-2-oxopropanoic acid is 135963-58-5.
What is the molecular formula of 3-(6-chloro-1H-indol-3-yl)-2-oxopropanoic acid?
The molecular formula of 3-(6-chloro-1H-indol-3-yl)-2-oxopropanoic acid is C11H8ClNO3.
What is the molecular weight of 3-(6-chloro-1H-indol-3-yl)-2-oxopropanoic acid?
The molecular weight of 3-(6-chloro-1H-indol-3-yl)-2-oxopropanoic acid is 237.02 g/mol.
Where can I buy 3-(6-chloro-1H-indol-3-yl)-2-oxopropanoic acid?
You can request a quote for 3-(6-chloro-1H-indol-3-yl)-2-oxopropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(6-chloro-1H-indol-3-yl)-2-oxopropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-chloro-1H-indol-3-yl)-2-oxopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.