![2-Butanone, 4-[2,5-bis(acetyloxy)-3,4,6-trimethylphenyl]- structure](/static/products/5310/53101-69-2.webp)
2-Butanone, 4-[2,5-bis(acetyloxy)-3,4,6-trimethylphenyl]-
TL;DR: 2-Butanone, 4-[2,5-bis(acetyloxy)-3,4,6-trimethylphenyl]- (CAS 53101-69-2) is a chemical compound with molecular formula C17H22O5 and molecular weight 306.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-acetyloxy-2,3,6-trimethyl-5-(3-oxobutyl)phenyl] acetate
Also Known As: Diacetoxycumolone, DIACETOXYCUMOLONE 96, 2-Butanone, 4-[2,5-bis(acetyloxy)-3,4,6-trimethylphenyl]-, 2,3,5-trimethyl-6-(3-oxobutyl)-1,4-phenylene diacetate, 4-(2,5-Bis(acetyloxy)-3,4,6-trimethylphenyl)-2-butanone
| Molecular Formula | C17H22O5 |
|---|---|
| Molecular Weight | 306.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 306.14673 |
| Heavy Atoms | 22 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 53101-69-2 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1OC(=O)C)C)CCC(=O)C)OC(=O)C)C |
| InChIKey | ZLPIWEHMRPAXFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butanone, 4-[2,5-bis(acetyloxy)-3,4,6-trimethylphenyl]- (CAS 53101-69-2), with molecular formula C17H22O5 and molecular weight 306.15 g/mol. IUPAC: [4-acetyloxy-2,3,6-trimethyl-5-(3-oxobutyl)phenyl] acetate.
Chemical Property Profile of 2-Butanone, 4-[2,5-bis(acetyloxy)-3,4,6-trimethylphenyl]-
Property Insights of 2-Butanone, 4-[2,5-bis(acetyloxy)-3,4,6-trimethylphenyl]-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butanone, 4-[2,5-bis(acetyloxy)-3,4,6-trimethylphenyl]-. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butanone, 4-[2,5-bis(acetyloxy)-3,4,6-trimethylphenyl]-. Following Lipinski's Rule of Five, 2-Butanone, 4-[2,5-bis(acetyloxy)-3,4,6-trimethylphenyl]- 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 2-Butanone, 4-[2,5-bis(acetyloxy)-3,4,6-trimethylphenyl]-?
The CAS number of 2-Butanone, 4-[2,5-bis(acetyloxy)-3,4,6-trimethylphenyl]- is 53101-69-2.
What is the molecular formula of 2-Butanone, 4-[2,5-bis(acetyloxy)-3,4,6-trimethylphenyl]-?
The molecular formula of 2-Butanone, 4-[2,5-bis(acetyloxy)-3,4,6-trimethylphenyl]- is C17H22O5.
What is the molecular weight of 2-Butanone, 4-[2,5-bis(acetyloxy)-3,4,6-trimethylphenyl]-?
The molecular weight of 2-Butanone, 4-[2,5-bis(acetyloxy)-3,4,6-trimethylphenyl]- is 306.15 g/mol.
Where can I buy 2-Butanone, 4-[2,5-bis(acetyloxy)-3,4,6-trimethylphenyl]-?
You can request a quote for 2-Butanone, 4-[2,5-bis(acetyloxy)-3,4,6-trimethylphenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanone, 4-[2,5-bis(acetyloxy)-3,4,6-trimethylphenyl]-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanone, 4-[2,5-bis(acetyloxy)-3,4,6-trimethylphenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.