4-Acetyl-3-(acetyloxy)-2-methylphenyl acetate
TL;DR: 4-Acetyl-3-(acetyloxy)-2-methylphenyl acetate (CAS 107625-52-5) is a chemical compound with molecular formula C13H14O5 and molecular weight 250.08412 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-acetyl-3-acetyloxy-2-methylphenyl) acetate
Also Known As: (4-acetyl-3-acetyloxy-2-methylphenyl) acetate, 4-acetyl-3-(acetyloxy)-2-methylphenyl acetate, (4-acetyl-3-acetyloxy-2-methyl-phenyl) Acetate, acetic acid 3-acetoxy-4-acetyl-2-methyl-phenyl ester
Technical Specifications
| Molecular Formula | C13H14O5 |
| Molecular Weight | 250.08412 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.08412 Da |
| Heavy Atoms | 18 |
| Complexity | 349.0 |
| SMILES | CC1=C(C=CC(=C1OC(=O)C)C(=O)C)OC(=O)C |
| InChIKey | AWKFBKLDIRLIIC-UHFFFAOYSA-N |
Chemical Property Profile of 4-Acetyl-3-(acetyloxy)-2-methylphenyl acetate
Property Insights of 4-Acetyl-3-(acetyloxy)-2-methylphenyl acetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetyl-3-(acetyloxy)-2-methylphenyl acetate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetyl-3-(acetyloxy)-2-methylphenyl acetate. Following Lipinski's Rule of Five, 4-Acetyl-3-(acetyloxy)-2-methylphenyl acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Acetyl-3-(acetyloxy)-2-methylphenyl acetate?
The CAS number of 4-Acetyl-3-(acetyloxy)-2-methylphenyl acetate is 107625-52-5.
What is the molecular formula of 4-Acetyl-3-(acetyloxy)-2-methylphenyl acetate?
The molecular formula of 4-Acetyl-3-(acetyloxy)-2-methylphenyl acetate is C13H14O5.
What is the molecular weight of 4-Acetyl-3-(acetyloxy)-2-methylphenyl acetate?
The molecular weight of 4-Acetyl-3-(acetyloxy)-2-methylphenyl acetate is 250.08412 g/mol.
Where can I buy 4-Acetyl-3-(acetyloxy)-2-methylphenyl acetate?
You can request a quote for 4-Acetyl-3-(acetyloxy)-2-methylphenyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Acetyl-3-(acetyloxy)-2-methylphenyl acetate?
Yes, CoreyChem provides custom synthesis services for 4-Acetyl-3-(acetyloxy)-2-methylphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.