Ethyl 2-(9-anthracenylmethylene)-3-oxobutanoate
TL;DR: Ethyl 2-(9-anthracenylmethylene)-3-oxobutanoate (CAS 73758-53-9) is a chemical compound with molecular formula C21H18O3 and molecular weight 318.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(anthracen-9-ylmethylidene)-3-oxobutanoate
Also Known As: Ethyl 2-(9-anthracenylmethylene)-3-oxobutanoate, Ethyl 2-(9-anthrylmethylene)-3-oxobutyrate, ethyl 2-(anthracen-9-ylmethylidene)-3-oxobutanoate, ethyl 2-[(anthracen-9-yl)methylidene]-3-oxobutanoate, ethyl (2E)-2-(anthracen-9-ylmethylidene)-3-oxobutanoate
| Molecular Formula | C21H18O3 |
|---|---|
| Molecular Weight | 318.13 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.12558 |
| Heavy Atoms | 24 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 73758-53-9 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=C2C=CC=CC2=CC3=CC=CC=C31)C(=O)C |
| InChIKey | CDIYMHBFBYSKRQ-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(9-anthracenylmethylene)-3-oxobutanoate (CAS 73758-53-9), with molecular formula C21H18O3 and molecular weight 318.13 g/mol. IUPAC: ethyl 2-(anthracen-9-ylmethylidene)-3-oxobutanoate.
Chemical Property Profile of Ethyl 2-(9-anthracenylmethylene)-3-oxobutanoate
Property Insights of Ethyl 2-(9-anthracenylmethylene)-3-oxobutanoate
The XLogP value of 5.0 indicates that Ethyl 2-(9-anthracenylmethylene)-3-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2-(9-anthracenylmethylene)-3-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(9-anthracenylmethylene)-3-oxobutanoate 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
Frequently Asked Questions
What is the CAS number of Ethyl 2-(9-anthracenylmethylene)-3-oxobutanoate?
The CAS number of Ethyl 2-(9-anthracenylmethylene)-3-oxobutanoate is 73758-53-9.
What is the molecular formula of Ethyl 2-(9-anthracenylmethylene)-3-oxobutanoate?
The molecular formula of Ethyl 2-(9-anthracenylmethylene)-3-oxobutanoate is C21H18O3.
What is the molecular weight of Ethyl 2-(9-anthracenylmethylene)-3-oxobutanoate?
The molecular weight of Ethyl 2-(9-anthracenylmethylene)-3-oxobutanoate is 318.13 g/mol.
Where can I buy Ethyl 2-(9-anthracenylmethylene)-3-oxobutanoate?
You can request a quote for Ethyl 2-(9-anthracenylmethylene)-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(9-anthracenylmethylene)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(9-anthracenylmethylene)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.