3-(1-Acetyl-1H-indol-3-yl)propanoic acid
TL;DR: 3-(1-Acetyl-1H-indol-3-yl)propanoic acid (CAS 22949-13-9) 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-(1-acetylindol-3-yl)propanoic acid
Also Known As: 3- propanoicacid, 3-(1-acetylindol-3-yl)propanoic acid, 3-(1-Acetyl-1H-indol-3-yl)propanoic acid, 1H-Indole-3-propanoicacid, 1-acetyl-, 3-(1-Acetylindol-3-yl)-propionsaeure
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 22949-13-9 |
|---|---|
| SMILES | CC(=O)N1C=C(C2=CC=CC=C21)CCC(=O)O |
| InChIKey | DXQFXWYBFSJKRK-UHFFFAOYSA-N |
Product Overview
3-(1-Acetyl-1H-indol-3-yl)propanoic acid (CAS 22949-13-9), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: 3-(1-acetylindol-3-yl)propanoic acid.
Chemical Property Profile of 3-(1-Acetyl-1H-indol-3-yl)propanoic acid
Property Insights of 3-(1-Acetyl-1H-indol-3-yl)propanoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Acetyl-1H-indol-3-yl)propanoic acid. With a topological polar surface area (TPSA) of 59.3 Ų, 3-(1-Acetyl-1H-indol-3-yl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Acetyl-1H-indol-3-yl)propanoic acid has 1 hydrogen bond donor(s) and 3 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-(1-Acetyl-1H-indol-3-yl)propanoic acid?
The CAS number of 3-(1-Acetyl-1H-indol-3-yl)propanoic acid is 22949-13-9.
What is the molecular formula of 3-(1-Acetyl-1H-indol-3-yl)propanoic acid?
The molecular formula of 3-(1-Acetyl-1H-indol-3-yl)propanoic acid is C13H13NO3.
What is the molecular weight of 3-(1-Acetyl-1H-indol-3-yl)propanoic acid?
The molecular weight of 3-(1-Acetyl-1H-indol-3-yl)propanoic acid is 231.09 g/mol.
Where can I buy 3-(1-Acetyl-1H-indol-3-yl)propanoic acid?
You can request a quote for 3-(1-Acetyl-1H-indol-3-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-(1-Acetyl-1H-indol-3-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Acetyl-1H-indol-3-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.