4-(1-methyl-1H-indol-3-yl)butanoic acid
TL;DR: 4-(1-methyl-1H-indol-3-yl)butanoic acid (CAS 16244-09-0) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-methylindol-3-yl)butanoic acid
Also Known As: 4-(1-methyl-1H-indol-3-yl)butanoic acid, 4-(1-methylindol-3-yl)butanoic acid, 4-(1-Methyl-1H-indol-3-yl)-butyric acid, 1H-Indole-4-butanoic acid, 1-methyl-, BAS 10150451
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 16244-09-0 |
|---|---|
| SMILES | CN1C=C(C2=CC=CC=C21)CCCC(=O)O |
| InChIKey | CELMVOPUIMXHCY-UHFFFAOYSA-N |
Product Overview
4-(1-methyl-1H-indol-3-yl)butanoic acid (CAS 16244-09-0), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: 4-(1-methylindol-3-yl)butanoic acid.
Chemical Property Profile of 4-(1-methyl-1H-indol-3-yl)butanoic acid
Property Insights of 4-(1-methyl-1H-indol-3-yl)butanoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-methyl-1H-indol-3-yl)butanoic acid. With a topological polar surface area (TPSA) of 42.2 Ų, 4-(1-methyl-1H-indol-3-yl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-methyl-1H-indol-3-yl)butanoic 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 4-(1-methyl-1H-indol-3-yl)butanoic acid?
The CAS number of 4-(1-methyl-1H-indol-3-yl)butanoic acid is 16244-09-0.
What is the molecular formula of 4-(1-methyl-1H-indol-3-yl)butanoic acid?
The molecular formula of 4-(1-methyl-1H-indol-3-yl)butanoic acid is C13H15NO2.
What is the molecular weight of 4-(1-methyl-1H-indol-3-yl)butanoic acid?
The molecular weight of 4-(1-methyl-1H-indol-3-yl)butanoic acid is 217.11 g/mol.
Where can I buy 4-(1-methyl-1H-indol-3-yl)butanoic acid?
You can request a quote for 4-(1-methyl-1H-indol-3-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-methyl-1H-indol-3-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-methyl-1H-indol-3-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.