5-Acetyl-3-methyl-1H-indole-2-carboxylic acid
TL;DR: 5-Acetyl-3-methyl-1H-indole-2-carboxylic acid (CAS 18085-39-7) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-3-methyl-1H-indole-2-carboxylic acid
Also Known As: 5-Acetyl-3-methyl-1H-indole-2-carboxylic acid, 5-acetyl-2-benzyloxypyridine, BAS 10157358, 1-Cyclohexyl-azetidine-2-carboxylic acid, 5-acetyl-3-methylindole-2-carboxylic acid
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 2.37712 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 595.5748 |
Chemical Identifiers
| CAS Number | 18085-39-7 |
|---|---|
| SMILES | CC1=C(NC2=C1C=C(C=C2)C(=O)C)C(=O)O |
Product Overview
5-Acetyl-3-methyl-1H-indole-2-carboxylic acid (CAS 18085-39-7), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: 5-acetyl-3-methyl-1H-indole-2-carboxylic acid.
Chemical Property Profile of 5-Acetyl-3-methyl-1H-indole-2-carboxylic acid
Property Insights of 5-Acetyl-3-methyl-1H-indole-2-carboxylic acid
The XLogP value of 2.37712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-3-methyl-1H-indole-2-carboxylic acid. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetyl-3-methyl-1H-indole-2-carboxylic acid. Following Lipinski's Rule of Five, 5-Acetyl-3-methyl-1H-indole-2-carboxylic acid has 2 hydrogen bond donor(s) and 2 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 5-Acetyl-3-methyl-1H-indole-2-carboxylic acid?
The CAS number of 5-Acetyl-3-methyl-1H-indole-2-carboxylic acid is 18085-39-7.
What is the molecular formula of 5-Acetyl-3-methyl-1H-indole-2-carboxylic acid?
The molecular formula of 5-Acetyl-3-methyl-1H-indole-2-carboxylic acid is C12H11NO3.
What is the molecular weight of 5-Acetyl-3-methyl-1H-indole-2-carboxylic acid?
The molecular weight of 5-Acetyl-3-methyl-1H-indole-2-carboxylic acid is 217.07 g/mol.
Where can I buy 5-Acetyl-3-methyl-1H-indole-2-carboxylic acid?
You can request a quote for 5-Acetyl-3-methyl-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 5-Acetyl-3-methyl-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-3-methyl-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.