3-amino-5,6-dimethoxy-1H-indole-2-carboxylic acid
TL;DR: 3-amino-5,6-dimethoxy-1H-indole-2-carboxylic acid (CAS 696649-49-7) is a chemical compound with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-5,6-dimethoxy-1H-indole-2-carboxylic acid
Also Known As: ZERO/005113, 3-amino-5,6-dimethoxy-1H-indole-2-carboxylic acid, 3-amino-5,6-dimethoxyindole-2-carboxylic acid, 3-amino-5,6-dimethoxy-1{H}-indole-2-carboxylic acid
| Molecular Formula | C11H12N2O4 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 1.4655 |
| Topological Polar Surface Area | 97.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.07971 |
| Heavy Atoms | 17 |
| Complexity | 588.65924 |
Chemical Identifiers
| CAS Number | 696649-49-7 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=C(N2)C(=O)O)N)OC |
Product Overview
3-amino-5,6-dimethoxy-1H-indole-2-carboxylic acid (CAS 696649-49-7), with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol. IUPAC: 3-amino-5,6-dimethoxy-1H-indole-2-carboxylic acid.
Chemical Property Profile of 3-amino-5,6-dimethoxy-1H-indole-2-carboxylic acid
Property Insights of 3-amino-5,6-dimethoxy-1H-indole-2-carboxylic acid
The XLogP value of 1.4655 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-5,6-dimethoxy-1H-indole-2-carboxylic acid. The TPSA of 97.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-5,6-dimethoxy-1H-indole-2-carboxylic acid. Following Lipinski's Rule of Five, 3-amino-5,6-dimethoxy-1H-indole-2-carboxylic acid has 3 hydrogen bond donor(s) and 4 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-5,6-dimethoxy-1H-indole-2-carboxylic acid?
The CAS number of 3-amino-5,6-dimethoxy-1H-indole-2-carboxylic acid is 696649-49-7.
What is the molecular formula of 3-amino-5,6-dimethoxy-1H-indole-2-carboxylic acid?
The molecular formula of 3-amino-5,6-dimethoxy-1H-indole-2-carboxylic acid is C11H12N2O4.
What is the molecular weight of 3-amino-5,6-dimethoxy-1H-indole-2-carboxylic acid?
The molecular weight of 3-amino-5,6-dimethoxy-1H-indole-2-carboxylic acid is 236.08 g/mol.
Where can I buy 3-amino-5,6-dimethoxy-1H-indole-2-carboxylic acid?
You can request a quote for 3-amino-5,6-dimethoxy-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-5,6-dimethoxy-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-5,6-dimethoxy-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.