Indolyl-3-ethanol acetate
TL;DR: Indolyl-3-ethanol acetate (CAS 13137-14-9) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-indol-3-yl)ethyl acetate
Also Known As: 2-(1H-Indol-3-yl)ethyl acetate, tryptophol acetate, Indolyl-3-ethanol acetate, 3-(2-Acetoxyethyl)-1H-indole, 1H-Indole-3-ethanol acetate
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 13137-14-9 |
|---|---|
| SMILES | CC(=O)OCCC1=CNC2=CC=CC=C21 |
| InChIKey | KAWBLROQFPLJEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Indolyl-3-ethanol acetate (CAS 13137-14-9), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 2-(1H-indol-3-yl)ethyl acetate.
Chemical Property Profile of Indolyl-3-ethanol acetate
Property Insights of Indolyl-3-ethanol acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indolyl-3-ethanol acetate. With a topological polar surface area (TPSA) of 42.1 Ų, Indolyl-3-ethanol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indolyl-3-ethanol acetate 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 Indolyl-3-ethanol acetate?
The CAS number of Indolyl-3-ethanol acetate is 13137-14-9.
What is the molecular formula of Indolyl-3-ethanol acetate?
The molecular formula of Indolyl-3-ethanol acetate is C12H13NO2.
What is the molecular weight of Indolyl-3-ethanol acetate?
The molecular weight of Indolyl-3-ethanol acetate is 203.09 g/mol.
Where can I buy Indolyl-3-ethanol acetate?
You can request a quote for Indolyl-3-ethanol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indolyl-3-ethanol acetate?
Yes, KEHONG BIO provides custom synthesis services for Indolyl-3-ethanol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.