ethyl 2-(4-methyl-1,3-dithiolan-2-ylidene)-3-oxobutanoate
TL;DR: ethyl 2-(4-methyl-1,3-dithiolan-2-ylidene)-3-oxobutanoate (CAS 59240-85-6) is a chemical compound with molecular formula C10H14O3S2 and molecular weight 246.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-methyl-1,3-dithiolan-2-ylidene)-3-oxobutanoate
Also Known As: ethyl 2-(4-methyl-1,3-dithiolan-2-ylidene)-3-oxobutanoate
| Molecular Formula | C10H14O3S2 |
|---|---|
| Molecular Weight | 246.04 g/mol |
| LogP | 2.2186 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.03844 |
| Heavy Atoms | 15 |
| Complexity | 309.78937 |
Chemical Identifiers
| CAS Number | 59240-85-6 |
|---|---|
| SMILES | CCOC(=O)C(=C1SCC(S1)C)C(=O)C |
Product Overview
ethyl 2-(4-methyl-1,3-dithiolan-2-ylidene)-3-oxobutanoate (CAS 59240-85-6), with molecular formula C10H14O3S2 and molecular weight 246.04 g/mol. IUPAC: ethyl 2-(4-methyl-1,3-dithiolan-2-ylidene)-3-oxobutanoate.
Chemical Property Profile of ethyl 2-(4-methyl-1,3-dithiolan-2-ylidene)-3-oxobutanoate
Property Insights of ethyl 2-(4-methyl-1,3-dithiolan-2-ylidene)-3-oxobutanoate
The XLogP value of 2.2186 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(4-methyl-1,3-dithiolan-2-ylidene)-3-oxobutanoate. With a topological polar surface area (TPSA) of 43.37 Ų, ethyl 2-(4-methyl-1,3-dithiolan-2-ylidene)-3-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-(4-methyl-1,3-dithiolan-2-ylidene)-3-oxobutanoate 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 ethyl 2-(4-methyl-1,3-dithiolan-2-ylidene)-3-oxobutanoate?
The CAS number of ethyl 2-(4-methyl-1,3-dithiolan-2-ylidene)-3-oxobutanoate is 59240-85-6.
What is the molecular formula of ethyl 2-(4-methyl-1,3-dithiolan-2-ylidene)-3-oxobutanoate?
The molecular formula of ethyl 2-(4-methyl-1,3-dithiolan-2-ylidene)-3-oxobutanoate is C10H14O3S2.
What is the molecular weight of ethyl 2-(4-methyl-1,3-dithiolan-2-ylidene)-3-oxobutanoate?
The molecular weight of ethyl 2-(4-methyl-1,3-dithiolan-2-ylidene)-3-oxobutanoate is 246.04 g/mol.
Where can I buy ethyl 2-(4-methyl-1,3-dithiolan-2-ylidene)-3-oxobutanoate?
You can request a quote for ethyl 2-(4-methyl-1,3-dithiolan-2-ylidene)-3-oxobutanoate 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-1,3-dithiolan-2-ylidene)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(4-methyl-1,3-dithiolan-2-ylidene)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.