ethyl 2-(1-allyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)acetate
TL;DR: ethyl 2-(1-allyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)acetate (CAS 1308732-57-1) is a chemical compound with molecular formula C15H15NO3 and molecular weight 257.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2E)-2-(2-oxo-1-prop-2-enylindol-3-ylidene)acetate
Also Known As: 1N-547S, J3.001.731E, ethyl 2-(1-allyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)acetate, ethyl (2E)-2-(2-oxo-1-prop-2-enylindol-3-ylidene)acetate, ethyl 2-[(3E)-2-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-3-ylidene]acetate
Technical Specifications
| Molecular Formula | C15H15NO3 |
| Molecular Weight | 257.1052 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.1052 Da |
| Heavy Atoms | 19 |
| Complexity | 414.0 |
| SMILES | CCOC(=O)/C=C/1\C2=CC=CC=C2N(C1=O)CC=C |
| InChIKey | LDTCDJNRJYHPGL-ZRDIBKRKSA-N |
Chemical Property Profile of ethyl 2-(1-allyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)acetate
Property Insights of ethyl 2-(1-allyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(1-allyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)acetate. With a topological polar surface area (TPSA) of 46.6 Ų, ethyl 2-(1-allyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-(1-allyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)acetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ethyl 2-(1-allyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)acetate?
The CAS number of ethyl 2-(1-allyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)acetate is 1308732-57-1.
What is the molecular formula of ethyl 2-(1-allyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)acetate?
The molecular formula of ethyl 2-(1-allyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)acetate is C15H15NO3.
What is the molecular weight of ethyl 2-(1-allyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)acetate?
The molecular weight of ethyl 2-(1-allyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)acetate is 257.1052 g/mol.
Where can I buy ethyl 2-(1-allyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)acetate?
You can request a quote for ethyl 2-(1-allyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 2-(1-allyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)acetate?
Yes, CoreyChem provides custom synthesis services for ethyl 2-(1-allyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.