Ethyl1,3-dithiolan-2-ylidene(phenyl)acetate
TL;DR: Ethyl1,3-dithiolan-2-ylidene(phenyl)acetate (CAS 106262-49-1) is a chemical compound with molecular formula C13H14O2S2 and molecular weight 266.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,3-dithiolan-2-ylidene)-2-phenylacetate
Also Known As: ethyl1,3-dithiolan-2-ylidene(phenyl)acetate, ethyl 2-(1,3-dithiolan-2-ylidene)-2-phenylacetate, AN-742/37279034
| Molecular Formula | C13H14O2S2 |
|---|---|
| Molecular Weight | 266.04 g/mol |
| LogP | 3.3983 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.04352 |
| Heavy Atoms | 17 |
| Complexity | 418.30542 |
Chemical Identifiers
| CAS Number | 106262-49-1 |
|---|---|
| SMILES | CCOC(=O)C(=C1SCCS1)C2=CC=CC=C2 |
Product Overview
Ethyl1,3-dithiolan-2-ylidene(phenyl)acetate (CAS 106262-49-1), with molecular formula C13H14O2S2 and molecular weight 266.04 g/mol. IUPAC: ethyl 2-(1,3-dithiolan-2-ylidene)-2-phenylacetate.
Chemical Property Profile of Ethyl1,3-dithiolan-2-ylidene(phenyl)acetate
Property Insights of Ethyl1,3-dithiolan-2-ylidene(phenyl)acetate
The XLogP value of 3.3983 indicates that Ethyl1,3-dithiolan-2-ylidene(phenyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl1,3-dithiolan-2-ylidene(phenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl1,3-dithiolan-2-ylidene(phenyl)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 Ethyl1,3-dithiolan-2-ylidene(phenyl)acetate?
The CAS number of Ethyl1,3-dithiolan-2-ylidene(phenyl)acetate is 106262-49-1.
What is the molecular formula of Ethyl1,3-dithiolan-2-ylidene(phenyl)acetate?
The molecular formula of Ethyl1,3-dithiolan-2-ylidene(phenyl)acetate is C13H14O2S2.
What is the molecular weight of Ethyl1,3-dithiolan-2-ylidene(phenyl)acetate?
The molecular weight of Ethyl1,3-dithiolan-2-ylidene(phenyl)acetate is 266.04 g/mol.
Where can I buy Ethyl1,3-dithiolan-2-ylidene(phenyl)acetate?
You can request a quote for Ethyl1,3-dithiolan-2-ylidene(phenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl1,3-dithiolan-2-ylidene(phenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl1,3-dithiolan-2-ylidene(phenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.