5-Acetyl-2-methoxy-4-methylphenyl acetate
TL;DR: 5-Acetyl-2-methoxy-4-methylphenyl acetate (CAS 35684-86-7) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-acetyl-2-methoxy-4-methylphenyl) acetate
Also Known As: 5-Acetyl-2-methoxy-4-methylphenyl acetate, acetoxy-5 methoxy-4 methyl-2 acetophenone, (5-acetyl-2-methoxy-4-methylphenyl) acetate, (5-acetyl-2-methoxy-4-methyl-phenyl) Acetate
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.13152 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 434.89005 |
Chemical Identifiers
| CAS Number | 35684-86-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C(=O)C)OC(=O)C)OC |
Product Overview
5-Acetyl-2-methoxy-4-methylphenyl acetate (CAS 35684-86-7), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: (5-acetyl-2-methoxy-4-methylphenyl) acetate.
Chemical Property Profile of 5-Acetyl-2-methoxy-4-methylphenyl acetate
Property Insights of 5-Acetyl-2-methoxy-4-methylphenyl acetate
The XLogP value of 2.13152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-2-methoxy-4-methylphenyl acetate. With a topological polar surface area (TPSA) of 52.6 Ų, 5-Acetyl-2-methoxy-4-methylphenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Acetyl-2-methoxy-4-methylphenyl acetate has 0 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 5-Acetyl-2-methoxy-4-methylphenyl acetate?
The CAS number of 5-Acetyl-2-methoxy-4-methylphenyl acetate is 35684-86-7.
What is the molecular formula of 5-Acetyl-2-methoxy-4-methylphenyl acetate?
The molecular formula of 5-Acetyl-2-methoxy-4-methylphenyl acetate is C12H14O4.
What is the molecular weight of 5-Acetyl-2-methoxy-4-methylphenyl acetate?
The molecular weight of 5-Acetyl-2-methoxy-4-methylphenyl acetate is 222.09 g/mol.
Where can I buy 5-Acetyl-2-methoxy-4-methylphenyl acetate?
You can request a quote for 5-Acetyl-2-methoxy-4-methylphenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetyl-2-methoxy-4-methylphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-2-methoxy-4-methylphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.