Butanoic acid, 2-(1H-indol-3-ylmethylene)-3-oxo-, ethyl ester
TL;DR: Butanoic acid, 2-(1H-indol-3-ylmethylene)-3-oxo-, ethyl ester (CAS 69022-96-4) is a chemical compound with molecular formula C15H15NO3 and molecular weight 257.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1H-indol-3-ylmethylidene)-3-oxobutanoate
Also Known As: Skatylidenacetessigsaeure-ethylester, ethyl 2-(1H-indol-3-ylmethylidene)-3-oxobutanoate, Butanoic acid, 2-(1H-indol-3-ylmethylene)-3-oxo-, ethyl ester, Ethyl 2-[(1H-indol-3-yl)methylidene]-3-oxobutanoate
| Molecular Formula | C15H15NO3 |
|---|---|
| Molecular Weight | 257.11 g/mol |
| LogP | 2.7034 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.1052 |
| Heavy Atoms | 19 |
| Complexity | 652.20935 |
Chemical Identifiers
| CAS Number | 69022-96-4 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CNC2=CC=CC=C21)C(=O)C |
Product Overview
Butanoic acid, 2-(1H-indol-3-ylmethylene)-3-oxo-, ethyl ester (CAS 69022-96-4), with molecular formula C15H15NO3 and molecular weight 257.11 g/mol. IUPAC: ethyl 2-(1H-indol-3-ylmethylidene)-3-oxobutanoate.
Chemical Property Profile of Butanoic acid, 2-(1H-indol-3-ylmethylene)-3-oxo-, ethyl ester
Property Insights of Butanoic acid, 2-(1H-indol-3-ylmethylene)-3-oxo-, ethyl ester
The XLogP value of 2.7034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 2-(1H-indol-3-ylmethylene)-3-oxo-, ethyl ester. With a topological polar surface area (TPSA) of 59.16 Ų, Butanoic acid, 2-(1H-indol-3-ylmethylene)-3-oxo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 2-(1H-indol-3-ylmethylene)-3-oxo-, ethyl ester has 1 hydrogen bond donor(s) and 3 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 Butanoic acid, 2-(1H-indol-3-ylmethylene)-3-oxo-, ethyl ester?
The CAS number of Butanoic acid, 2-(1H-indol-3-ylmethylene)-3-oxo-, ethyl ester is 69022-96-4.
What is the molecular formula of Butanoic acid, 2-(1H-indol-3-ylmethylene)-3-oxo-, ethyl ester?
The molecular formula of Butanoic acid, 2-(1H-indol-3-ylmethylene)-3-oxo-, ethyl ester is C15H15NO3.
What is the molecular weight of Butanoic acid, 2-(1H-indol-3-ylmethylene)-3-oxo-, ethyl ester?
The molecular weight of Butanoic acid, 2-(1H-indol-3-ylmethylene)-3-oxo-, ethyl ester is 257.11 g/mol.
Where can I buy Butanoic acid, 2-(1H-indol-3-ylmethylene)-3-oxo-, ethyl ester?
You can request a quote for Butanoic acid, 2-(1H-indol-3-ylmethylene)-3-oxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 2-(1H-indol-3-ylmethylene)-3-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 2-(1H-indol-3-ylmethylene)-3-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.