Heptyl 1h-indol-3-ylacetate
TL;DR: Heptyl 1h-indol-3-ylacetate (CAS 21282-08-6) is a chemical compound with molecular formula C17H23NO2 and molecular weight 273.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 2-(1H-indol-3-yl)acetate
Also Known As: heptyl 1h-indol-3-ylacetate, NCIOpen2_007041, heptyl 2-(1H-indol-3-yl)acetate, Heptyl (1H-indol-3-yl)acetate, Indol-3-yl-essigsaeure-heptylester
| Molecular Formula | C17H23NO2 |
|---|---|
| Molecular Weight | 273.17 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 273.17288 |
| Heavy Atoms | 20 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 21282-08-6 |
|---|---|
| SMILES | CCCCCCCOC(=O)CC1=CNC2=CC=CC=C21 |
| InChIKey | OXPKWHXCMHDEON-UHFFFAOYSA-N |
Product Overview
Heptyl 1h-indol-3-ylacetate (CAS 21282-08-6), with molecular formula C17H23NO2 and molecular weight 273.17 g/mol. IUPAC: heptyl 2-(1H-indol-3-yl)acetate.
Chemical Property Profile of Heptyl 1h-indol-3-ylacetate
Property Insights of Heptyl 1h-indol-3-ylacetate
The XLogP value of 4.6 indicates that Heptyl 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, Heptyl 1h-indol-3-ylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl 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 Heptyl 1h-indol-3-ylacetate?
The CAS number of Heptyl 1h-indol-3-ylacetate is 21282-08-6.
What is the molecular formula of Heptyl 1h-indol-3-ylacetate?
The molecular formula of Heptyl 1h-indol-3-ylacetate is C17H23NO2.
What is the molecular weight of Heptyl 1h-indol-3-ylacetate?
The molecular weight of Heptyl 1h-indol-3-ylacetate is 273.17 g/mol.
Where can I buy Heptyl 1h-indol-3-ylacetate?
You can request a quote for Heptyl 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 Heptyl 1h-indol-3-ylacetate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl 1h-indol-3-ylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.