(E)-3-(ethoxymethylene)-1-ethylindolin-2-one
TL;DR: (E)-3-(ethoxymethylene)-1-ethylindolin-2-one (CAS 1164534-51-3) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-(ethoxymethylidene)-1-ethylindol-2-one
Also Known As: (E)-3-(ethoxymethylene)-1-ethylindolin-2-one, (3E)-3-(ethoxymethylidene)-1-ethylindol-2-one
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 1164534-51-3 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2/C(=C\OCC)/C1=O |
| InChIKey | RTZIWVNYSWFJKW-PKNBQFBNSA-N |
Product Overview
(E)-3-(ethoxymethylene)-1-ethylindolin-2-one (CAS 1164534-51-3), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: (3E)-3-(ethoxymethylidene)-1-ethylindol-2-one.
Chemical Property Profile of (E)-3-(ethoxymethylene)-1-ethylindolin-2-one
Property Insights of (E)-3-(ethoxymethylene)-1-ethylindolin-2-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(ethoxymethylene)-1-ethylindolin-2-one. With a topological polar surface area (TPSA) of 29.5 Ų, (E)-3-(ethoxymethylene)-1-ethylindolin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(ethoxymethylene)-1-ethylindolin-2-one 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 (E)-3-(ethoxymethylene)-1-ethylindolin-2-one?
The CAS number of (E)-3-(ethoxymethylene)-1-ethylindolin-2-one is 1164534-51-3.
What is the molecular formula of (E)-3-(ethoxymethylene)-1-ethylindolin-2-one?
The molecular formula of (E)-3-(ethoxymethylene)-1-ethylindolin-2-one is C13H15NO2.
What is the molecular weight of (E)-3-(ethoxymethylene)-1-ethylindolin-2-one?
The molecular weight of (E)-3-(ethoxymethylene)-1-ethylindolin-2-one is 217.11 g/mol.
Where can I buy (E)-3-(ethoxymethylene)-1-ethylindolin-2-one?
You can request a quote for (E)-3-(ethoxymethylene)-1-ethylindolin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(ethoxymethylene)-1-ethylindolin-2-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(ethoxymethylene)-1-ethylindolin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.