3-amino-4,5,6-trimethoxy-1H-indole-2-carboxylic acid
TL;DR: 3-amino-4,5,6-trimethoxy-1H-indole-2-carboxylic acid (CAS 696649-53-3) is a chemical compound with molecular formula C12H14N2O5 and molecular weight 266.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4,5,6-trimethoxy-1H-indole-2-carboxylic acid
Also Known As: ZERO/005114, 3-amino-4,5,6-trimethoxy-1H-indole-2-carboxylic acid, 3-amino-4,5,6-trimethoxyindole-2-carboxylic acid, 3-amino-4,5,6-trimethoxy-1{H}-indole-2-carboxylic acid
| Molecular Formula | C12H14N2O5 |
|---|---|
| Molecular Weight | 266.09 g/mol |
| LogP | 1.4741 |
| Topological Polar Surface Area | 106.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.09027 |
| Heavy Atoms | 19 |
| Complexity | 647.3425 |
Chemical Identifiers
| CAS Number | 696649-53-3 |
|---|---|
| SMILES | COC1=C(C(=C2C(=C1)NC(=C2N)C(=O)O)OC)OC |
Product Overview
3-amino-4,5,6-trimethoxy-1H-indole-2-carboxylic acid (CAS 696649-53-3), with molecular formula C12H14N2O5 and molecular weight 266.09 g/mol. IUPAC: 3-amino-4,5,6-trimethoxy-1H-indole-2-carboxylic acid.
Chemical Property Profile of 3-amino-4,5,6-trimethoxy-1H-indole-2-carboxylic acid
Property Insights of 3-amino-4,5,6-trimethoxy-1H-indole-2-carboxylic acid
The XLogP value of 1.4741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-4,5,6-trimethoxy-1H-indole-2-carboxylic acid. The TPSA of 106.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-4,5,6-trimethoxy-1H-indole-2-carboxylic acid. Following Lipinski's Rule of Five, 3-amino-4,5,6-trimethoxy-1H-indole-2-carboxylic acid has 3 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 3-amino-4,5,6-trimethoxy-1H-indole-2-carboxylic acid?
The CAS number of 3-amino-4,5,6-trimethoxy-1H-indole-2-carboxylic acid is 696649-53-3.
What is the molecular formula of 3-amino-4,5,6-trimethoxy-1H-indole-2-carboxylic acid?
The molecular formula of 3-amino-4,5,6-trimethoxy-1H-indole-2-carboxylic acid is C12H14N2O5.
What is the molecular weight of 3-amino-4,5,6-trimethoxy-1H-indole-2-carboxylic acid?
The molecular weight of 3-amino-4,5,6-trimethoxy-1H-indole-2-carboxylic acid is 266.09 g/mol.
Where can I buy 3-amino-4,5,6-trimethoxy-1H-indole-2-carboxylic acid?
You can request a quote for 3-amino-4,5,6-trimethoxy-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-amino-4,5,6-trimethoxy-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-4,5,6-trimethoxy-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.