4-Acetyl-2,6-dimethylphenyl benzoate
TL;DR: 4-Acetyl-2,6-dimethylphenyl benzoate (CAS 61948-27-4) is a chemical compound with molecular formula C17H16O3 and molecular weight 268.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetyl-2,6-dimethylphenyl) benzoate
Also Known As: 4-acetyl-2,6-dimethylphenyl benzoate, (4-acetyl-2,6-dimethylphenyl) benzoate, (4-acetyl-2,6-dimethylphenyl)benzoate
| Molecular Formula | C17H16O3 |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.10995 |
| Heavy Atoms | 20 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 61948-27-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OC(=O)C2=CC=CC=C2)C)C(=O)C |
| InChIKey | YIMRTAMGFYEANJ-UHFFFAOYSA-N |
Product Overview
4-Acetyl-2,6-dimethylphenyl benzoate (CAS 61948-27-4), with molecular formula C17H16O3 and molecular weight 268.11 g/mol. IUPAC: (4-acetyl-2,6-dimethylphenyl) benzoate.
Chemical Property Profile of 4-Acetyl-2,6-dimethylphenyl benzoate
Property Insights of 4-Acetyl-2,6-dimethylphenyl benzoate
The XLogP value of 3.7 indicates that 4-Acetyl-2,6-dimethylphenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 4-Acetyl-2,6-dimethylphenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Acetyl-2,6-dimethylphenyl benzoate has 0 hydrogen bond donor(s) and 3 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 4-Acetyl-2,6-dimethylphenyl benzoate?
The CAS number of 4-Acetyl-2,6-dimethylphenyl benzoate is 61948-27-4.
What is the molecular formula of 4-Acetyl-2,6-dimethylphenyl benzoate?
The molecular formula of 4-Acetyl-2,6-dimethylphenyl benzoate is C17H16O3.
What is the molecular weight of 4-Acetyl-2,6-dimethylphenyl benzoate?
The molecular weight of 4-Acetyl-2,6-dimethylphenyl benzoate is 268.11 g/mol.
Where can I buy 4-Acetyl-2,6-dimethylphenyl benzoate?
You can request a quote for 4-Acetyl-2,6-dimethylphenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetyl-2,6-dimethylphenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetyl-2,6-dimethylphenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.