Methyl indole-3-acetate
TL;DR: Methyl indole-3-acetate (CAS 1912-33-0) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1H-indol-3-yl)acetate
Also Known As: Methyl indole-3-acetate, methyl 2-(1H-indol-3-yl)acetate, IAA methyl ester, Methyl 3-indolylacetate, Indole-3-methyl acetate
| Molecular Formula | C11H11NO2 |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.07898 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
| Melting Point | 125 °C |
Chemical Identifiers
| CAS Number | 1912-33-0 |
|---|---|
| SMILES | COC(=O)CC1=CNC2=CC=CC=C21 |
| InChIKey | KTHADMDGDNYQRX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl indole-3-acetate (CAS 1912-33-0), with molecular formula C11H11NO2 and molecular weight 189.08 g/mol. IUPAC: methyl 2-(1H-indol-3-yl)acetate.
Chemical Property Profile of Methyl indole-3-acetate
Property Insights of Methyl indole-3-acetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl indole-3-acetate. With a topological polar surface area (TPSA) of 42.1 Ų, Methyl indole-3-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl indole-3-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 Methyl indole-3-acetate?
The CAS number of Methyl indole-3-acetate is 1912-33-0.
What is the molecular formula of Methyl indole-3-acetate?
The molecular formula of Methyl indole-3-acetate is C11H11NO2.
What is the molecular weight of Methyl indole-3-acetate?
The molecular weight of Methyl indole-3-acetate is 189.08 g/mol.
Where can I buy Methyl indole-3-acetate?
You can request a quote for Methyl indole-3-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl indole-3-acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl indole-3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.