3-Acetyl-4-hydroxynaphthalen-1-yl acetate
TL;DR: 3-Acetyl-4-hydroxynaphthalen-1-yl acetate (CAS 40659-00-5) is a chemical compound with molecular formula C14H12O4 and molecular weight 244.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetyl-4-hydroxynaphthalen-1-yl) acetate
Also Known As: 3-acetyl-4-hydroxynaphthalen-1-yl acetate, (3-acetyl-4-hydroxynaphthalen-1-yl) acetate, J1.421.495J, Acetic acid 3-acetyl-4-hydroxy-1-naphthyl ester
| Molecular Formula | C14H12O4 |
|---|---|
| Molecular Weight | 244.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.07356 |
| Heavy Atoms | 18 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 40659-00-5 |
|---|---|
| SMILES | CC(=O)C1=C(C2=CC=CC=C2C(=C1)OC(=O)C)O |
| InChIKey | IYBFPDUFVLWLIA-UHFFFAOYSA-N |
Product Overview
3-Acetyl-4-hydroxynaphthalen-1-yl acetate (CAS 40659-00-5), with molecular formula C14H12O4 and molecular weight 244.07 g/mol. IUPAC: (3-acetyl-4-hydroxynaphthalen-1-yl) acetate.
Chemical Property Profile of 3-Acetyl-4-hydroxynaphthalen-1-yl acetate
Property Insights of 3-Acetyl-4-hydroxynaphthalen-1-yl acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-4-hydroxynaphthalen-1-yl acetate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetyl-4-hydroxynaphthalen-1-yl acetate. Following Lipinski's Rule of Five, 3-Acetyl-4-hydroxynaphthalen-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 3-Acetyl-4-hydroxynaphthalen-1-yl acetate?
The CAS number of 3-Acetyl-4-hydroxynaphthalen-1-yl acetate is 40659-00-5.
What is the molecular formula of 3-Acetyl-4-hydroxynaphthalen-1-yl acetate?
The molecular formula of 3-Acetyl-4-hydroxynaphthalen-1-yl acetate is C14H12O4.
What is the molecular weight of 3-Acetyl-4-hydroxynaphthalen-1-yl acetate?
The molecular weight of 3-Acetyl-4-hydroxynaphthalen-1-yl acetate is 244.07 g/mol.
Where can I buy 3-Acetyl-4-hydroxynaphthalen-1-yl acetate?
You can request a quote for 3-Acetyl-4-hydroxynaphthalen-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 3-Acetyl-4-hydroxynaphthalen-1-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-4-hydroxynaphthalen-1-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.