1-(4-(Acetyloxy)-3-((acetyloxy)methyl)phenyl)ethanone
TL;DR: 1-(4-(Acetyloxy)-3-((acetyloxy)methyl)phenyl)ethanone (CAS 24085-06-1) is a chemical compound with molecular formula C13H14O5 and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-acetyl-2-acetyloxyphenyl)methyl acetate
Also Known As: 3-Acetoxymethyl-4-acetoxyacetophenone, AAMAP, (5-acetyl-2-acetyloxyphenyl)methyl acetate, 2-Acetoxy-5-acetylbenzyl acetate, Salbutamol Impurity 179
| Molecular Formula | C13H14O5 |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 250.08412 |
| Heavy Atoms | 18 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 24085-06-1 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)OC(=O)C)COC(=O)C |
| InChIKey | FMKMEWWKBLDKST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-(Acetyloxy)-3-((acetyloxy)methyl)phenyl)ethanone (CAS 24085-06-1), with molecular formula C13H14O5 and molecular weight 250.08 g/mol. IUPAC: (5-acetyl-2-acetyloxyphenyl)methyl acetate.
Chemical Property Profile of 1-(4-(Acetyloxy)-3-((acetyloxy)methyl)phenyl)ethanone
Property Insights of 1-(4-(Acetyloxy)-3-((acetyloxy)methyl)phenyl)ethanone
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-(Acetyloxy)-3-((acetyloxy)methyl)phenyl)ethanone. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-(Acetyloxy)-3-((acetyloxy)methyl)phenyl)ethanone. Following Lipinski's Rule of Five, 1-(4-(Acetyloxy)-3-((acetyloxy)methyl)phenyl)ethanone 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
Frequently Asked Questions
What is the CAS number of 1-(4-(Acetyloxy)-3-((acetyloxy)methyl)phenyl)ethanone?
The CAS number of 1-(4-(Acetyloxy)-3-((acetyloxy)methyl)phenyl)ethanone is 24085-06-1.
What is the molecular formula of 1-(4-(Acetyloxy)-3-((acetyloxy)methyl)phenyl)ethanone?
The molecular formula of 1-(4-(Acetyloxy)-3-((acetyloxy)methyl)phenyl)ethanone is C13H14O5.
What is the molecular weight of 1-(4-(Acetyloxy)-3-((acetyloxy)methyl)phenyl)ethanone?
The molecular weight of 1-(4-(Acetyloxy)-3-((acetyloxy)methyl)phenyl)ethanone is 250.08 g/mol.
Where can I buy 1-(4-(Acetyloxy)-3-((acetyloxy)methyl)phenyl)ethanone?
You can request a quote for 1-(4-(Acetyloxy)-3-((acetyloxy)methyl)phenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-(Acetyloxy)-3-((acetyloxy)methyl)phenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-(Acetyloxy)-3-((acetyloxy)methyl)phenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.