3-acetamido-5-methoxy-1H-indole-2-carboxylic acid
TL;DR: 3-acetamido-5-methoxy-1H-indole-2-carboxylic acid (CAS 59664-42-5) is a chemical compound with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetamido-5-methoxy-1H-indole-2-carboxylic acid
Also Known As: 3-acetamido-5-methoxy-1H-indole-2-carboxylic acid, 3-Acetylamino-5-methoxy-1H-indole-2-carboxylic acid, ChemDiv1_008900, TIMTEC-BB SBB011905, 2,4-Bis(trifluoromethyl)benzaldehyde
| Molecular Formula | C12H12N2O4 |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 1.8331 |
| Topological Polar Surface Area | 91.42 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.07971 |
| Heavy Atoms | 18 |
| Complexity | 630.2843 |
Chemical Identifiers
| CAS Number | 59664-42-5 |
|---|---|
| SMILES | CC(=O)NC1=C(NC2=C1C=C(C=C2)OC)C(=O)O |
Product Overview
3-acetamido-5-methoxy-1H-indole-2-carboxylic acid (CAS 59664-42-5), with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol. IUPAC: 3-acetamido-5-methoxy-1H-indole-2-carboxylic acid.
Chemical Property Profile of 3-acetamido-5-methoxy-1H-indole-2-carboxylic acid
Property Insights of 3-acetamido-5-methoxy-1H-indole-2-carboxylic acid
The XLogP value of 1.8331 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-acetamido-5-methoxy-1H-indole-2-carboxylic acid. The TPSA of 91.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-acetamido-5-methoxy-1H-indole-2-carboxylic acid. Following Lipinski's Rule of Five, 3-acetamido-5-methoxy-1H-indole-2-carboxylic acid has 3 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-acetamido-5-methoxy-1H-indole-2-carboxylic acid?
The CAS number of 3-acetamido-5-methoxy-1H-indole-2-carboxylic acid is 59664-42-5.
What is the molecular formula of 3-acetamido-5-methoxy-1H-indole-2-carboxylic acid?
The molecular formula of 3-acetamido-5-methoxy-1H-indole-2-carboxylic acid is C12H12N2O4.
What is the molecular weight of 3-acetamido-5-methoxy-1H-indole-2-carboxylic acid?
The molecular weight of 3-acetamido-5-methoxy-1H-indole-2-carboxylic acid is 248.08 g/mol.
Where can I buy 3-acetamido-5-methoxy-1H-indole-2-carboxylic acid?
You can request a quote for 3-acetamido-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-acetamido-5-methoxy-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-acetamido-5-methoxy-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.