Methyl 2-(1-hydroxy-4-oxo-naphthalen-1-YL)acetate
TL;DR: Methyl 2-(1-hydroxy-4-oxo-naphthalen-1-YL)acetate (CAS 83552-99-2) is a chemical compound with molecular formula C13H12O4 and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1-hydroxy-4-oxonaphthalen-1-yl)acetate
Also Known As: METHYL 2-(1-HYDROXY-4-OXO-NAPHTHALEN-1-YL)ACETATE, methyl 2-(1-hydroxy-4-oxonaphthalen-1-yl)acetate, Methyl (1-hydroxy-4-oxo-1,4-dihydronaphthalen-1-yl)acetate, RefChem:353762
| Molecular Formula | C13H12O4 |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.07356 |
| Heavy Atoms | 17 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 83552-99-2 |
|---|---|
| SMILES | COC(=O)CC1(C=CC(=O)C2=CC=CC=C21)O |
| InChIKey | GLXZFDXJFUVICZ-UHFFFAOYSA-N |
Product Overview
Methyl 2-(1-hydroxy-4-oxo-naphthalen-1-YL)acetate (CAS 83552-99-2), with molecular formula C13H12O4 and molecular weight 232.07 g/mol. IUPAC: methyl 2-(1-hydroxy-4-oxonaphthalen-1-yl)acetate.
Chemical Property Profile of Methyl 2-(1-hydroxy-4-oxo-naphthalen-1-YL)acetate
Property Insights of Methyl 2-(1-hydroxy-4-oxo-naphthalen-1-YL)acetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(1-hydroxy-4-oxo-naphthalen-1-YL)acetate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(1-hydroxy-4-oxo-naphthalen-1-YL)acetate. Following Lipinski's Rule of Five, Methyl 2-(1-hydroxy-4-oxo-naphthalen-1-YL)acetate 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
Frequently Asked Questions
What is the CAS number of Methyl 2-(1-hydroxy-4-oxo-naphthalen-1-YL)acetate?
The CAS number of Methyl 2-(1-hydroxy-4-oxo-naphthalen-1-YL)acetate is 83552-99-2.
What is the molecular formula of Methyl 2-(1-hydroxy-4-oxo-naphthalen-1-YL)acetate?
The molecular formula of Methyl 2-(1-hydroxy-4-oxo-naphthalen-1-YL)acetate is C13H12O4.
What is the molecular weight of Methyl 2-(1-hydroxy-4-oxo-naphthalen-1-YL)acetate?
The molecular weight of Methyl 2-(1-hydroxy-4-oxo-naphthalen-1-YL)acetate is 232.07 g/mol.
Where can I buy Methyl 2-(1-hydroxy-4-oxo-naphthalen-1-YL)acetate?
You can request a quote for Methyl 2-(1-hydroxy-4-oxo-naphthalen-1-YL)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(1-hydroxy-4-oxo-naphthalen-1-YL)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(1-hydroxy-4-oxo-naphthalen-1-YL)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.