Methyl 3-indoleglyoxylate
TL;DR: Methyl 3-indoleglyoxylate (CAS 18372-22-0) is a chemical compound with molecular formula C11H9NO3 and molecular weight 203.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1H-indol-3-yl)-2-oxoacetate
Also Known As: Methyl 3-indoleglyoxylate, methyl 2-(1H-indol-3-yl)-2-oxoacetate, Methyl indolyl-3-glyoxylate, null, Methyl 1H-indol-3-yl(oxo)acetate
| Molecular Formula | C11H9NO3 |
|---|---|
| Molecular Weight | 203.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 59.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.05824 |
| Heavy Atoms | 15 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 18372-22-0 |
|---|---|
| SMILES | COC(=O)C(=O)C1=CNC2=CC=CC=C21 |
| InChIKey | VFIJGAWYVXDYLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-indoleglyoxylate (CAS 18372-22-0), with molecular formula C11H9NO3 and molecular weight 203.06 g/mol. IUPAC: methyl 2-(1H-indol-3-yl)-2-oxoacetate.
Chemical Property Profile of Methyl 3-indoleglyoxylate
Property Insights of Methyl 3-indoleglyoxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-indoleglyoxylate. With a topological polar surface area (TPSA) of 59.2 Ų, Methyl 3-indoleglyoxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-indoleglyoxylate has 1 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 Methyl 3-indoleglyoxylate?
The CAS number of Methyl 3-indoleglyoxylate is 18372-22-0.
What is the molecular formula of Methyl 3-indoleglyoxylate?
The molecular formula of Methyl 3-indoleglyoxylate is C11H9NO3.
What is the molecular weight of Methyl 3-indoleglyoxylate?
The molecular weight of Methyl 3-indoleglyoxylate is 203.06 g/mol.
Where can I buy Methyl 3-indoleglyoxylate?
You can request a quote for Methyl 3-indoleglyoxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-indoleglyoxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-indoleglyoxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.