Methyl 4-naphthalen-1-yl-4-oxo-butanoate
TL;DR: Methyl 4-naphthalen-1-yl-4-oxo-butanoate (CAS 1590-21-2) is a chemical compound with molecular formula C15H14O3 and molecular weight 242.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-naphthalen-1-yl-4-oxobutanoate
Also Known As: methyl 4-naphthalen-1-yl-4-oxo-butanoate, methyl 4-naphthalen-1-yl-4-oxobutanoate, methyl 4-(1-naphthyl)-4-oxo-butanoate, 4-Naphthalen-2-yl-4-oxo-butyricacidmethylester, METHYL 4-(NAPHTHALEN-1-YL)-4-OXOBUTANOATE
| Molecular Formula | C15H14O3 |
|---|---|
| Molecular Weight | 242.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.0943 |
| Heavy Atoms | 18 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 1590-21-2 |
|---|---|
| SMILES | COC(=O)CCC(=O)C1=CC=CC2=CC=CC=C21 |
| InChIKey | YCDARDMYSRGGGV-UHFFFAOYSA-N |
Product Overview
Methyl 4-naphthalen-1-yl-4-oxo-butanoate (CAS 1590-21-2), with molecular formula C15H14O3 and molecular weight 242.09 g/mol. IUPAC: methyl 4-naphthalen-1-yl-4-oxobutanoate.
Chemical Property Profile of Methyl 4-naphthalen-1-yl-4-oxo-butanoate
Property Insights of Methyl 4-naphthalen-1-yl-4-oxo-butanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-naphthalen-1-yl-4-oxo-butanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 4-naphthalen-1-yl-4-oxo-butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-naphthalen-1-yl-4-oxo-butanoate 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 4-naphthalen-1-yl-4-oxo-butanoate?
The CAS number of Methyl 4-naphthalen-1-yl-4-oxo-butanoate is 1590-21-2.
What is the molecular formula of Methyl 4-naphthalen-1-yl-4-oxo-butanoate?
The molecular formula of Methyl 4-naphthalen-1-yl-4-oxo-butanoate is C15H14O3.
What is the molecular weight of Methyl 4-naphthalen-1-yl-4-oxo-butanoate?
The molecular weight of Methyl 4-naphthalen-1-yl-4-oxo-butanoate is 242.09 g/mol.
Where can I buy Methyl 4-naphthalen-1-yl-4-oxo-butanoate?
You can request a quote for Methyl 4-naphthalen-1-yl-4-oxo-butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-naphthalen-1-yl-4-oxo-butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-naphthalen-1-yl-4-oxo-butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.