5-(1H-indol-3-yl)-3-methyl-penta-2,4-dienoic acid
TL;DR: 5-(1H-indol-3-yl)-3-methyl-penta-2,4-dienoic acid (CAS 1431320-18-1) is a chemical compound with molecular formula C14H13NO2 and molecular weight 227.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(1H-indol-3-yl)-3-methylpenta-2,4-dienoic acid
Also Known As: 5-(1H-indol-3-yl)-3-methyl-penta-2,4-dienoic acid, 5-(1H-indol-3-yl)-3-methylpenta-2,4-dienoic acid, (2E,4E)-5-(1H-indol-3-yl)-3-methylpenta-2,4-dienoic acid
Technical Specifications
| Molecular Formula | C14H13NO2 |
| Molecular Weight | 227.09464 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.09464 Da |
| Heavy Atoms | 17 |
| Complexity | 346.0 |
| SMILES | CC(=CC(=O)O)C=CC1=CNC2=CC=CC=C21 |
| InChIKey | MYZOWPQEARTBQG-UHFFFAOYSA-N |
Chemical Property Profile of 5-(1H-indol-3-yl)-3-methyl-penta-2,4-dienoic acid
Property Insights of 5-(1H-indol-3-yl)-3-methyl-penta-2,4-dienoic acid
The XLogP value of 3.5 indicates that 5-(1H-indol-3-yl)-3-methyl-penta-2,4-dienoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.1 Ų, 5-(1H-indol-3-yl)-3-methyl-penta-2,4-dienoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1H-indol-3-yl)-3-methyl-penta-2,4-dienoic acid has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(1H-indol-3-yl)-3-methyl-penta-2,4-dienoic acid?
The CAS number of 5-(1H-indol-3-yl)-3-methyl-penta-2,4-dienoic acid is 1431320-18-1.
What is the molecular formula of 5-(1H-indol-3-yl)-3-methyl-penta-2,4-dienoic acid?
The molecular formula of 5-(1H-indol-3-yl)-3-methyl-penta-2,4-dienoic acid is C14H13NO2.
What is the molecular weight of 5-(1H-indol-3-yl)-3-methyl-penta-2,4-dienoic acid?
The molecular weight of 5-(1H-indol-3-yl)-3-methyl-penta-2,4-dienoic acid is 227.09464 g/mol.
Where can I buy 5-(1H-indol-3-yl)-3-methyl-penta-2,4-dienoic acid?
You can request a quote for 5-(1H-indol-3-yl)-3-methyl-penta-2,4-dienoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(1H-indol-3-yl)-3-methyl-penta-2,4-dienoic acid?
Yes, CoreyChem provides custom synthesis services for 5-(1H-indol-3-yl)-3-methyl-penta-2,4-dienoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.