Hexyl 1h-indol-3-ylacetate
TL;DR: Hexyl 1h-indol-3-ylacetate (CAS 67478-47-1) is a chemical compound with molecular formula C16H21NO2 and molecular weight 259.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 2-(1H-indol-3-yl)acetate
Also Known As: hexyl 1h-indol-3-ylacetate, hexyl 2-(1H-indol-3-yl)acetate, NCIOpen2_007165, Hexyl (1H-indol-3-yl)acetate, indole-3-acetic acid-n-hexylester
| Molecular Formula | C16H21NO2 |
|---|---|
| Molecular Weight | 259.16 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 259.15723 |
| Heavy Atoms | 19 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 67478-47-1 |
|---|---|
| SMILES | CCCCCCOC(=O)CC1=CNC2=CC=CC=C21 |
| InChIKey | KDMAWFBFPMXBLI-UHFFFAOYSA-N |
Product Overview
Hexyl 1h-indol-3-ylacetate (CAS 67478-47-1), with molecular formula C16H21NO2 and molecular weight 259.16 g/mol. IUPAC: hexyl 2-(1H-indol-3-yl)acetate.
Chemical Property Profile of Hexyl 1h-indol-3-ylacetate
Property Insights of Hexyl 1h-indol-3-ylacetate
The XLogP value of 4.1 indicates that Hexyl 1h-indol-3-ylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.1 Ų, Hexyl 1h-indol-3-ylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 1h-indol-3-ylacetate 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 Hexyl 1h-indol-3-ylacetate?
The CAS number of Hexyl 1h-indol-3-ylacetate is 67478-47-1.
What is the molecular formula of Hexyl 1h-indol-3-ylacetate?
The molecular formula of Hexyl 1h-indol-3-ylacetate is C16H21NO2.
What is the molecular weight of Hexyl 1h-indol-3-ylacetate?
The molecular weight of Hexyl 1h-indol-3-ylacetate is 259.16 g/mol.
Where can I buy Hexyl 1h-indol-3-ylacetate?
You can request a quote for Hexyl 1h-indol-3-ylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl 1h-indol-3-ylacetate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl 1h-indol-3-ylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.