Methyl 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)-2-oxoacetate
TL;DR: Methyl 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)-2-oxoacetate (CAS 121071-86-1) is a chemical compound with molecular formula C13H12O4 and molecular weight 232.07356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)-2-oxoacetate
Also Known As: Mdonha, methyl 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)-2-oxoacetate, Methyl 3,4-dihydro-1-oxo-2(1H)-naphthylidenehydroxyacetate, J1.558.990F, AT-057/43485325
Technical Specifications
| Molecular Formula | C13H12O4 |
| Molecular Weight | 232.07356 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.07356 Da |
| Heavy Atoms | 17 |
| Complexity | 370.0 |
| SMILES | COC(=O)C(=O)C1=C(C2=CC=CC=C2CC1)O |
| InChIKey | UHGSWZFWUMAHPQ-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)-2-oxoacetate
Property Insights of Methyl 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)-2-oxoacetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)-2-oxoacetate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)-2-oxoacetate. Following Lipinski's Rule of Five, Methyl 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)-2-oxoacetate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)-2-oxoacetate?
The CAS number of Methyl 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)-2-oxoacetate is 121071-86-1.
What is the molecular formula of Methyl 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)-2-oxoacetate?
The molecular formula of Methyl 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)-2-oxoacetate is C13H12O4.
What is the molecular weight of Methyl 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)-2-oxoacetate?
The molecular weight of Methyl 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)-2-oxoacetate is 232.07356 g/mol.
Where can I buy Methyl 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)-2-oxoacetate?
You can request a quote for Methyl 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)-2-oxoacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)-2-oxoacetate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)-2-oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.