(3-Acetyl-indol-1-yl)-acetic acid
TL;DR: (3-Acetyl-indol-1-yl)-acetic acid (CAS 501682-42-4) 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.
2-(3-acetylindol-1-yl)acetic acid
Also Known As: (3-Acetyl-indol-1-yl)-acetic acid, (3-acetyl-1H-indol-1-yl)acetic acid, 2-(3-acetyl-1H-indol-1-yl)acetic acid, 2-(3-acetylindol-1-yl)acetic acid, 1H-Indole-1-acetic acid, 3-acetyl-
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 1.9285 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 568.6476 |
Chemical Identifiers
| CAS Number | 501682-42-4 |
|---|---|
| SMILES | CC(=O)C1=CN(C2=CC=CC=C21)CC(=O)O |
Product Overview
(3-Acetyl-indol-1-yl)-acetic acid (CAS 501682-42-4), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: 2-(3-acetylindol-1-yl)acetic acid.
Chemical Property Profile of (3-Acetyl-indol-1-yl)-acetic acid
Property Insights of (3-Acetyl-indol-1-yl)-acetic acid
The XLogP value of 1.9285 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Acetyl-indol-1-yl)-acetic acid. With a topological polar surface area (TPSA) of 59.3 Ų, (3-Acetyl-indol-1-yl)-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Acetyl-indol-1-yl)-acetic 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 (3-Acetyl-indol-1-yl)-acetic acid?
The CAS number of (3-Acetyl-indol-1-yl)-acetic acid is 501682-42-4.
What is the molecular formula of (3-Acetyl-indol-1-yl)-acetic acid?
The molecular formula of (3-Acetyl-indol-1-yl)-acetic acid is C12H11NO3.
What is the molecular weight of (3-Acetyl-indol-1-yl)-acetic acid?
The molecular weight of (3-Acetyl-indol-1-yl)-acetic acid is 217.07 g/mol.
Where can I buy (3-Acetyl-indol-1-yl)-acetic acid?
You can request a quote for (3-Acetyl-indol-1-yl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Acetyl-indol-1-yl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (3-Acetyl-indol-1-yl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.