Ethyl ((2-(4-methyl-5-oxo-3-cyclohexen-1-yl)propyl)thio)acetate
TL;DR: Ethyl ((2-(4-methyl-5-oxo-3-cyclohexen-1-yl)propyl)thio)acetate (CAS 84083-20-5) is a chemical compound with molecular formula C14H22O3S and molecular weight 270.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(4-methyl-5-oxocyclohex-3-en-1-yl)propylsulfanyl]acetate
Also Known As: EINECS 282-069-9, ethyl[[2- propyl]thio]acetate, Ethyl ((2-(4-methyl-5-oxo-3-cyclohexen-1-yl)propyl)thio)acetate, ethyl 2-[2-(4-methyl-5-oxocyclohex-3-en-1-yl)propylsulfanyl]acetate, Ethyl [[2-(4-methyl-5-oxo-3-cyclohexen-1-yl)propyl]thio]acetate
| Molecular Formula | C14H22O3S |
|---|---|
| Molecular Weight | 270.13 g/mol |
| LogP | 2.8442 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 270.12897 |
| Heavy Atoms | 18 |
| Complexity | 335.93082 |
Chemical Identifiers
| CAS Number | 84083-20-5 |
|---|---|
| SMILES | CCOC(=O)CSCC(C)C1CC=C(C(=O)C1)C |
Product Overview
Ethyl ((2-(4-methyl-5-oxo-3-cyclohexen-1-yl)propyl)thio)acetate (CAS 84083-20-5), with molecular formula C14H22O3S and molecular weight 270.13 g/mol. IUPAC: ethyl 2-[2-(4-methyl-5-oxocyclohex-3-en-1-yl)propylsulfanyl]acetate.
Chemical Property Profile of Ethyl ((2-(4-methyl-5-oxo-3-cyclohexen-1-yl)propyl)thio)acetate
Property Insights of Ethyl ((2-(4-methyl-5-oxo-3-cyclohexen-1-yl)propyl)thio)acetate
The XLogP value of 2.8442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl ((2-(4-methyl-5-oxo-3-cyclohexen-1-yl)propyl)thio)acetate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl ((2-(4-methyl-5-oxo-3-cyclohexen-1-yl)propyl)thio)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl ((2-(4-methyl-5-oxo-3-cyclohexen-1-yl)propyl)thio)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 Ethyl ((2-(4-methyl-5-oxo-3-cyclohexen-1-yl)propyl)thio)acetate?
The CAS number of Ethyl ((2-(4-methyl-5-oxo-3-cyclohexen-1-yl)propyl)thio)acetate is 84083-20-5.
What is the molecular formula of Ethyl ((2-(4-methyl-5-oxo-3-cyclohexen-1-yl)propyl)thio)acetate?
The molecular formula of Ethyl ((2-(4-methyl-5-oxo-3-cyclohexen-1-yl)propyl)thio)acetate is C14H22O3S.
What is the molecular weight of Ethyl ((2-(4-methyl-5-oxo-3-cyclohexen-1-yl)propyl)thio)acetate?
The molecular weight of Ethyl ((2-(4-methyl-5-oxo-3-cyclohexen-1-yl)propyl)thio)acetate is 270.13 g/mol.
Where can I buy Ethyl ((2-(4-methyl-5-oxo-3-cyclohexen-1-yl)propyl)thio)acetate?
You can request a quote for Ethyl ((2-(4-methyl-5-oxo-3-cyclohexen-1-yl)propyl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl ((2-(4-methyl-5-oxo-3-cyclohexen-1-yl)propyl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl ((2-(4-methyl-5-oxo-3-cyclohexen-1-yl)propyl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.