(2-hexanoyl-1H-indol-3-yl)acetic acid
TL;DR: (2-hexanoyl-1H-indol-3-yl)acetic acid (CAS 146775-01-1) is a chemical compound with molecular formula C16H19NO3 and molecular weight 273.1365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-hexanoyl-1H-indol-3-yl)acetic acid
Also Known As: (2-hexanoyl-1H-indol-3-yl)acetic acid, 2-(2-hexanoyl-1H-indol-3-yl)acetic acid
Technical Specifications
| Molecular Formula | C16H19NO3 |
| Molecular Weight | 273.1365 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 70.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 273.1365 Da |
| Heavy Atoms | 20 |
| Complexity | 356.0 |
| SMILES | CCCCCC(=O)C1=C(C2=CC=CC=C2N1)CC(=O)O |
| InChIKey | HRDDJVACOSYBQP-UHFFFAOYSA-N |
Chemical Property Profile of (2-hexanoyl-1H-indol-3-yl)acetic acid
Property Insights of (2-hexanoyl-1H-indol-3-yl)acetic acid
The XLogP value of 3.4 indicates that (2-hexanoyl-1H-indol-3-yl)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-hexanoyl-1H-indol-3-yl)acetic acid. Following Lipinski's Rule of Five, (2-hexanoyl-1H-indol-3-yl)acetic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (2-hexanoyl-1H-indol-3-yl)acetic acid?
The CAS number of (2-hexanoyl-1H-indol-3-yl)acetic acid is 146775-01-1.
What is the molecular formula of (2-hexanoyl-1H-indol-3-yl)acetic acid?
The molecular formula of (2-hexanoyl-1H-indol-3-yl)acetic acid is C16H19NO3.
What is the molecular weight of (2-hexanoyl-1H-indol-3-yl)acetic acid?
The molecular weight of (2-hexanoyl-1H-indol-3-yl)acetic acid is 273.1365 g/mol.
Where can I buy (2-hexanoyl-1H-indol-3-yl)acetic acid?
You can request a quote for (2-hexanoyl-1H-indol-3-yl)acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2-hexanoyl-1H-indol-3-yl)acetic acid?
Yes, CoreyChem provides custom synthesis services for (2-hexanoyl-1H-indol-3-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.