5-Acetyl-4-hydroxy-2,3-dimethylphenyl acetate
TL;DR: 5-Acetyl-4-hydroxy-2,3-dimethylphenyl acetate (CAS 334868-40-5) 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-4-hydroxy-2,3-dimethylphenyl) acetate
Also Known As: 5-acetyl-4-hydroxy-2,3-dimethylphenyl acetate, (5-acetyl-4-hydroxy-2,3-dimethyl-phenyl) Acetate, Ethanone, 1-[5-(acetyloxy)-2-hydroxy-3,4-dimethylphenyl]-, 1-(2-hydroxy-5-acetoxy-3,4-dimethyl-phenyl)-ethanone
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.13694 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 460.57684 |
Chemical Identifiers
| CAS Number | 334868-40-5 |
|---|---|
| SMILES | CC1=C(C=C(C(=C1C)O)C(=O)C)OC(=O)C |
Product Overview
5-Acetyl-4-hydroxy-2,3-dimethylphenyl acetate (CAS 334868-40-5), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: (5-acetyl-4-hydroxy-2,3-dimethylphenyl) acetate.
Chemical Property Profile of 5-Acetyl-4-hydroxy-2,3-dimethylphenyl acetate
Property Insights of 5-Acetyl-4-hydroxy-2,3-dimethylphenyl acetate
The XLogP value of 2.13694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-4-hydroxy-2,3-dimethylphenyl acetate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetyl-4-hydroxy-2,3-dimethylphenyl acetate. Following Lipinski's Rule of Five, 5-Acetyl-4-hydroxy-2,3-dimethylphenyl 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 5-Acetyl-4-hydroxy-2,3-dimethylphenyl acetate?
The CAS number of 5-Acetyl-4-hydroxy-2,3-dimethylphenyl acetate is 334868-40-5.
What is the molecular formula of 5-Acetyl-4-hydroxy-2,3-dimethylphenyl acetate?
The molecular formula of 5-Acetyl-4-hydroxy-2,3-dimethylphenyl acetate is C12H14O4.
What is the molecular weight of 5-Acetyl-4-hydroxy-2,3-dimethylphenyl acetate?
The molecular weight of 5-Acetyl-4-hydroxy-2,3-dimethylphenyl acetate is 222.09 g/mol.
Where can I buy 5-Acetyl-4-hydroxy-2,3-dimethylphenyl acetate?
You can request a quote for 5-Acetyl-4-hydroxy-2,3-dimethylphenyl 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-4-hydroxy-2,3-dimethylphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-4-hydroxy-2,3-dimethylphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.