3-(3-acetyl-1H-indol-1-yl)propanoic acid
TL;DR: 3-(3-acetyl-1H-indol-1-yl)propanoic acid (CAS 869947-44-4) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-acetylindol-1-yl)propanoic acid
Also Known As: 3-(3-acetyl-1H-indol-1-yl)propanoic acid, 3-(3-acetylindol-1-yl)propanoic acid, 3-(3-Acetyl-indol-1-yl)-propionic acid, 1H-indole-1-propanoic acid, 3-acetyl-, 3-(3-acetylindolyl)propanoic acid
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 2.3186 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 583.3621 |
Chemical Identifiers
| CAS Number | 869947-44-4 |
|---|---|
| SMILES | CC(=O)C1=CN(C2=CC=CC=C21)CCC(=O)O |
Product Overview
3-(3-acetyl-1H-indol-1-yl)propanoic acid (CAS 869947-44-4), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: 3-(3-acetylindol-1-yl)propanoic acid.
Chemical Property Profile of 3-(3-acetyl-1H-indol-1-yl)propanoic acid
Property Insights of 3-(3-acetyl-1H-indol-1-yl)propanoic acid
The XLogP value of 2.3186 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-acetyl-1H-indol-1-yl)propanoic acid. With a topological polar surface area (TPSA) of 59.3 Ų, 3-(3-acetyl-1H-indol-1-yl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-acetyl-1H-indol-1-yl)propanoic 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-(3-acetyl-1H-indol-1-yl)propanoic acid?
The CAS number of 3-(3-acetyl-1H-indol-1-yl)propanoic acid is 869947-44-4.
What is the molecular formula of 3-(3-acetyl-1H-indol-1-yl)propanoic acid?
The molecular formula of 3-(3-acetyl-1H-indol-1-yl)propanoic acid is C13H13NO3.
What is the molecular weight of 3-(3-acetyl-1H-indol-1-yl)propanoic acid?
The molecular weight of 3-(3-acetyl-1H-indol-1-yl)propanoic acid is 231.09 g/mol.
Where can I buy 3-(3-acetyl-1H-indol-1-yl)propanoic acid?
You can request a quote for 3-(3-acetyl-1H-indol-1-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-acetyl-1H-indol-1-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-acetyl-1H-indol-1-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.