1-acetylindole-3-carboxylic Acid
TL;DR: 1-acetylindole-3-carboxylic Acid (CAS 83451-61-0) is a chemical compound with molecular formula C11H9NO3 and molecular weight 203.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-acetylindole-3-carboxylic acid
Also Known As: 1-acetylindole-3-carboxylic Acid, 1-Acetyl-1H-indole-3-carboxylic acid, RARECHEM AL BE 0276
| Molecular Formula | C11H9NO3 |
|---|---|
| Molecular Weight | 203.06 g/mol |
| LogP | 1.9996 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.05824 |
| Heavy Atoms | 15 |
| Complexity | 505.9584 |
Chemical Identifiers
| CAS Number | 83451-61-0 |
|---|---|
| SMILES | CC(=O)N1C=C(C2=CC=CC=C21)C(=O)O |
Product Overview
1-acetylindole-3-carboxylic Acid (CAS 83451-61-0), with molecular formula C11H9NO3 and molecular weight 203.06 g/mol. IUPAC: 1-acetylindole-3-carboxylic acid.
Chemical Property Profile of 1-acetylindole-3-carboxylic Acid
Property Insights of 1-acetylindole-3-carboxylic Acid
The XLogP value of 1.9996 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-acetylindole-3-carboxylic Acid. With a topological polar surface area (TPSA) of 59.3 Ų, 1-acetylindole-3-carboxylic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-acetylindole-3-carboxylic Acid has 1 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 1-acetylindole-3-carboxylic Acid?
The CAS number of 1-acetylindole-3-carboxylic Acid is 83451-61-0.
What is the molecular formula of 1-acetylindole-3-carboxylic Acid?
The molecular formula of 1-acetylindole-3-carboxylic Acid is C11H9NO3.
What is the molecular weight of 1-acetylindole-3-carboxylic Acid?
The molecular weight of 1-acetylindole-3-carboxylic Acid is 203.06 g/mol.
Where can I buy 1-acetylindole-3-carboxylic Acid?
You can request a quote for 1-acetylindole-3-carboxylic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-acetylindole-3-carboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 1-acetylindole-3-carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.