4,4-Dimethyl-2-oxo-3-(phenylsulfanyl)pentyl acetate
TL;DR: 4,4-Dimethyl-2-oxo-3-(phenylsulfanyl)pentyl acetate (CAS 65302-94-5) is a chemical compound with molecular formula C15H20O3S and molecular weight 280.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,4-dimethyl-2-oxo-3-phenylsulfanylpentyl) acetate
Also Known As: 4,4-Dimethyl-2-oxo-3- pentylacetate, 4,4-Dimethyl-2-oxo-3-(phenylsulfanyl)pentyl acetate, (4,4-dimethyl-2-oxo-3-phenylsulfanylpentyl) acetate, 1-Phenylthio-1-tert-butyl-3-acetoxy-2-propanone, 1-(Acetyloxy)-4,4-dimethyl-3-(phenylthio)-2-pentanone
| Molecular Formula | C15H20O3S |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 68.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 280.1133 |
| Heavy Atoms | 19 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 65302-94-5 |
|---|---|
| SMILES | CC(=O)OCC(=O)C(C(C)(C)C)SC1=CC=CC=C1 |
| InChIKey | IOYPTRYQWAZAIY-UHFFFAOYSA-N |
Product Overview
4,4-Dimethyl-2-oxo-3-(phenylsulfanyl)pentyl acetate (CAS 65302-94-5), with molecular formula C15H20O3S and molecular weight 280.11 g/mol. IUPAC: (4,4-dimethyl-2-oxo-3-phenylsulfanylpentyl) acetate.
Chemical Property Profile of 4,4-Dimethyl-2-oxo-3-(phenylsulfanyl)pentyl acetate
Property Insights of 4,4-Dimethyl-2-oxo-3-(phenylsulfanyl)pentyl acetate
The XLogP value of 3.9 indicates that 4,4-Dimethyl-2-oxo-3-(phenylsulfanyl)pentyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-Dimethyl-2-oxo-3-(phenylsulfanyl)pentyl acetate. Following Lipinski's Rule of Five, 4,4-Dimethyl-2-oxo-3-(phenylsulfanyl)pentyl acetate has 0 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 4,4-Dimethyl-2-oxo-3-(phenylsulfanyl)pentyl acetate?
The CAS number of 4,4-Dimethyl-2-oxo-3-(phenylsulfanyl)pentyl acetate is 65302-94-5.
What is the molecular formula of 4,4-Dimethyl-2-oxo-3-(phenylsulfanyl)pentyl acetate?
The molecular formula of 4,4-Dimethyl-2-oxo-3-(phenylsulfanyl)pentyl acetate is C15H20O3S.
What is the molecular weight of 4,4-Dimethyl-2-oxo-3-(phenylsulfanyl)pentyl acetate?
The molecular weight of 4,4-Dimethyl-2-oxo-3-(phenylsulfanyl)pentyl acetate is 280.11 g/mol.
Where can I buy 4,4-Dimethyl-2-oxo-3-(phenylsulfanyl)pentyl acetate?
You can request a quote for 4,4-Dimethyl-2-oxo-3-(phenylsulfanyl)pentyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-2-oxo-3-(phenylsulfanyl)pentyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-2-oxo-3-(phenylsulfanyl)pentyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.