2-(3-Acetyl-1H-indol-1-YL)propanoic acid
TL;DR: 2-(3-Acetyl-1H-indol-1-YL)propanoic acid (CAS 869947-43-3) 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.
2-(3-acetylindol-1-yl)propanoic acid
Also Known As: 2-(3-ACETYL-1H-INDOL-1-YL)PROPANOIC ACID, 2-(3-acetylindol-1-yl)propanoic acid, BEN654, 2-(3-acetylindolyl)propanoic acid, CHEMBRDG-BB 9005145
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 2.4895 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 597.7304 |
Chemical Identifiers
| CAS Number | 869947-43-3 |
|---|---|
| SMILES | CC(C(=O)O)N1C=C(C2=CC=CC=C21)C(=O)C |
Product Overview
2-(3-Acetyl-1H-indol-1-YL)propanoic acid (CAS 869947-43-3), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: 2-(3-acetylindol-1-yl)propanoic acid.
Chemical Property Profile of 2-(3-Acetyl-1H-indol-1-YL)propanoic acid
Property Insights of 2-(3-Acetyl-1H-indol-1-YL)propanoic acid
The XLogP value of 2.4895 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Acetyl-1H-indol-1-YL)propanoic acid. With a topological polar surface area (TPSA) of 59.3 Ų, 2-(3-Acetyl-1H-indol-1-YL)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(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 2-(3-Acetyl-1H-indol-1-YL)propanoic acid?
The CAS number of 2-(3-Acetyl-1H-indol-1-YL)propanoic acid is 869947-43-3.
What is the molecular formula of 2-(3-Acetyl-1H-indol-1-YL)propanoic acid?
The molecular formula of 2-(3-Acetyl-1H-indol-1-YL)propanoic acid is C13H13NO3.
What is the molecular weight of 2-(3-Acetyl-1H-indol-1-YL)propanoic acid?
The molecular weight of 2-(3-Acetyl-1H-indol-1-YL)propanoic acid is 231.09 g/mol.
Where can I buy 2-(3-Acetyl-1H-indol-1-YL)propanoic acid?
You can request a quote for 2-(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 2-(3-Acetyl-1H-indol-1-YL)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Acetyl-1H-indol-1-YL)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.