Ethyl (naphthalen-1-yl)(oxo)acetate
TL;DR: Ethyl (naphthalen-1-yl)(oxo)acetate (CAS 33656-65-4) is a chemical compound with molecular formula C14H12O3 and molecular weight 228.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-naphthalen-1-yl-2-oxoacetate
Also Known As: Ethyl 1-naphthoylformate, ethyl 2-(naphthalen-1-yl)-2-oxoacetate, Ethyl1-naphthoylformate, ethyl 2-naphthalen-1-yl-2-oxoacetate, ethyl (naphth-1-yl)(oxo)acetate
| Molecular Formula | C14H12O3 |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 2.5856 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.07864 |
| Heavy Atoms | 17 |
| Complexity | 567.194 |
Chemical Identifiers
| CAS Number | 33656-65-4 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1=CC=CC2=CC=CC=C21 |
Product Overview
Ethyl (naphthalen-1-yl)(oxo)acetate (CAS 33656-65-4), with molecular formula C14H12O3 and molecular weight 228.08 g/mol. IUPAC: ethyl 2-naphthalen-1-yl-2-oxoacetate.
Chemical Property Profile of Ethyl (naphthalen-1-yl)(oxo)acetate
Property Insights of Ethyl (naphthalen-1-yl)(oxo)acetate
The XLogP value of 2.5856 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (naphthalen-1-yl)(oxo)acetate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl (naphthalen-1-yl)(oxo)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (naphthalen-1-yl)(oxo)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
Frequently Asked Questions
What is the CAS number of Ethyl (naphthalen-1-yl)(oxo)acetate?
The CAS number of Ethyl (naphthalen-1-yl)(oxo)acetate is 33656-65-4.
What is the molecular formula of Ethyl (naphthalen-1-yl)(oxo)acetate?
The molecular formula of Ethyl (naphthalen-1-yl)(oxo)acetate is C14H12O3.
What is the molecular weight of Ethyl (naphthalen-1-yl)(oxo)acetate?
The molecular weight of Ethyl (naphthalen-1-yl)(oxo)acetate is 228.08 g/mol.
Where can I buy Ethyl (naphthalen-1-yl)(oxo)acetate?
You can request a quote for Ethyl (naphthalen-1-yl)(oxo)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (naphthalen-1-yl)(oxo)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (naphthalen-1-yl)(oxo)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.