Indol-1-yl-acetic acid ethyl ester
TL;DR: Indol-1-yl-acetic acid ethyl ester (CAS 61155-69-9) 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.
ethyl 2-indol-1-ylacetate
Also Known As: Ethyl 2-indol-1-ylacetate, ethyl 2-(1h-indol-1-yl)acetate, indol-1-yl-acetic acid ethyl ester, Ethyl (1H-indol-1-yl)acetate, indole-N-acetic Acid Ethyl Ester
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 2.2044 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 473.1818 |
Chemical Identifiers
| CAS Number | 61155-69-9 |
|---|---|
| SMILES | CCOC(=O)CN1C=CC2=CC=CC=C21 |
Product Overview
Indol-1-yl-acetic acid ethyl ester (CAS 61155-69-9), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: ethyl 2-indol-1-ylacetate.
Chemical Property Profile of Indol-1-yl-acetic acid ethyl ester
Property Insights of Indol-1-yl-acetic acid ethyl ester
The XLogP value of 2.2044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indol-1-yl-acetic acid ethyl ester. With a topological polar surface area (TPSA) of 31.23 Ų, Indol-1-yl-acetic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indol-1-yl-acetic acid ethyl ester has 0 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 Indol-1-yl-acetic acid ethyl ester?
The CAS number of Indol-1-yl-acetic acid ethyl ester is 61155-69-9.
What is the molecular formula of Indol-1-yl-acetic acid ethyl ester?
The molecular formula of Indol-1-yl-acetic acid ethyl ester is C12H13NO2.
What is the molecular weight of Indol-1-yl-acetic acid ethyl ester?
The molecular weight of Indol-1-yl-acetic acid ethyl ester is 203.09 g/mol.
Where can I buy Indol-1-yl-acetic acid ethyl ester?
You can request a quote for Indol-1-yl-acetic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indol-1-yl-acetic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Indol-1-yl-acetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.