Methyl 3-(naphthalen-1-yl)-3-oxopropanoate
TL;DR: Methyl 3-(naphthalen-1-yl)-3-oxopropanoate (CAS 226931-47-1) 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.
methyl 3-naphthalen-1-yl-3-oxopropanoate
Also Known As: methyl 3-(naphthalen-1-yl)-3-oxopropanoate, methyl 3-naphthalen-1-yl-3-oxopropanoate, 3-Naphthalen-1-yl-3-oxo-propionic acid methyl ester, 3-NAPHTHALEN-1-YL-3-OXO-PROPIONIC ACID METHYLESTER, methyl 3-(1-naphthyl)-3-oxo-propanoate
| 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 | 226931-47-1 |
|---|---|
| SMILES | COC(=O)CC(=O)C1=CC=CC2=CC=CC=C21 |
Product Overview
Methyl 3-(naphthalen-1-yl)-3-oxopropanoate (CAS 226931-47-1), with molecular formula C14H12O3 and molecular weight 228.08 g/mol. IUPAC: methyl 3-naphthalen-1-yl-3-oxopropanoate.
Chemical Property Profile of Methyl 3-(naphthalen-1-yl)-3-oxopropanoate
Property Insights of Methyl 3-(naphthalen-1-yl)-3-oxopropanoate
The XLogP value of 2.5856 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(naphthalen-1-yl)-3-oxopropanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 3-(naphthalen-1-yl)-3-oxopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(naphthalen-1-yl)-3-oxopropanoate 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 Methyl 3-(naphthalen-1-yl)-3-oxopropanoate?
The CAS number of Methyl 3-(naphthalen-1-yl)-3-oxopropanoate is 226931-47-1.
What is the molecular formula of Methyl 3-(naphthalen-1-yl)-3-oxopropanoate?
The molecular formula of Methyl 3-(naphthalen-1-yl)-3-oxopropanoate is C14H12O3.
What is the molecular weight of Methyl 3-(naphthalen-1-yl)-3-oxopropanoate?
The molecular weight of Methyl 3-(naphthalen-1-yl)-3-oxopropanoate is 228.08 g/mol.
Where can I buy Methyl 3-(naphthalen-1-yl)-3-oxopropanoate?
You can request a quote for Methyl 3-(naphthalen-1-yl)-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(naphthalen-1-yl)-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(naphthalen-1-yl)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.