3-formyl-5-methoxy-1H-indole-2-carboxylic acid
TL;DR: 3-formyl-5-methoxy-1H-indole-2-carboxylic acid (CAS 57646-80-7) is a chemical compound with molecular formula C11H9NO4 and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-formyl-5-methoxy-1H-indole-2-carboxylic acid
Also Known As: 3-formyl-5-methoxy-1H-indole-2-carboxylic acid, 2-Carboxy-3-ethylindol, ZERO/005619, 3-formyl-5-methoxyindole-2-carboxylic acid, 1H-Indole-2-carboxylic acid, 3-formyl-5-methoxy-
| Molecular Formula | C11H9NO4 |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 1.6872 |
| Topological Polar Surface Area | 79.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.05316 |
| Heavy Atoms | 16 |
| Complexity | 570.6134 |
Chemical Identifiers
| CAS Number | 57646-80-7 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC(=C2C=O)C(=O)O |
Product Overview
3-formyl-5-methoxy-1H-indole-2-carboxylic acid (CAS 57646-80-7), with molecular formula C11H9NO4 and molecular weight 219.05 g/mol. IUPAC: 3-formyl-5-methoxy-1H-indole-2-carboxylic acid.
Chemical Property Profile of 3-formyl-5-methoxy-1H-indole-2-carboxylic acid
Property Insights of 3-formyl-5-methoxy-1H-indole-2-carboxylic acid
The XLogP value of 1.6872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-formyl-5-methoxy-1H-indole-2-carboxylic acid. The TPSA of 79.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-formyl-5-methoxy-1H-indole-2-carboxylic acid. Following Lipinski's Rule of Five, 3-formyl-5-methoxy-1H-indole-2-carboxylic 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-formyl-5-methoxy-1H-indole-2-carboxylic acid?
The CAS number of 3-formyl-5-methoxy-1H-indole-2-carboxylic acid is 57646-80-7.
What is the molecular formula of 3-formyl-5-methoxy-1H-indole-2-carboxylic acid?
The molecular formula of 3-formyl-5-methoxy-1H-indole-2-carboxylic acid is C11H9NO4.
What is the molecular weight of 3-formyl-5-methoxy-1H-indole-2-carboxylic acid?
The molecular weight of 3-formyl-5-methoxy-1H-indole-2-carboxylic acid is 219.05 g/mol.
Where can I buy 3-formyl-5-methoxy-1H-indole-2-carboxylic acid?
You can request a quote for 3-formyl-5-methoxy-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 3-formyl-5-methoxy-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-formyl-5-methoxy-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.