Ethyl 2-(1,3-dithian-2-ylidene)-3-oxobutanoate
TL;DR: Ethyl 2-(1,3-dithian-2-ylidene)-3-oxobutanoate (CAS 19607-51-3) 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-(1,3-dithian-2-ylidene)-3-oxobutanoate
Also Known As: ethyl 2-(1,3-dithian-2-ylidene)-3-oxobutanoate, J2.334.339H, 2-(1,3-Dithiane-2-ylidene)acetoacetic acid ethyl ester, 2-[1,3]Dithian-2-ylidene-3-oxo-butyric acid ethyl ester
| Molecular Formula | C10H14O3S2 |
|---|---|
| Molecular Weight | 246.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 94.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.03844 |
| Heavy Atoms | 15 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 19607-51-3 |
|---|---|
| SMILES | CCOC(=O)C(=C1SCCCS1)C(=O)C |
| InChIKey | MJOUFVQJWXKTLK-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(1,3-dithian-2-ylidene)-3-oxobutanoate (CAS 19607-51-3), with molecular formula C10H14O3S2 and molecular weight 246.04 g/mol. IUPAC: ethyl 2-(1,3-dithian-2-ylidene)-3-oxobutanoate.
Chemical Property Profile of Ethyl 2-(1,3-dithian-2-ylidene)-3-oxobutanoate
Property Insights of Ethyl 2-(1,3-dithian-2-ylidene)-3-oxobutanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(1,3-dithian-2-ylidene)-3-oxobutanoate. The TPSA of 94.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(1,3-dithian-2-ylidene)-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 2-(1,3-dithian-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-(1,3-dithian-2-ylidene)-3-oxobutanoate?
The CAS number of Ethyl 2-(1,3-dithian-2-ylidene)-3-oxobutanoate is 19607-51-3.
What is the molecular formula of Ethyl 2-(1,3-dithian-2-ylidene)-3-oxobutanoate?
The molecular formula of Ethyl 2-(1,3-dithian-2-ylidene)-3-oxobutanoate is C10H14O3S2.
What is the molecular weight of Ethyl 2-(1,3-dithian-2-ylidene)-3-oxobutanoate?
The molecular weight of Ethyl 2-(1,3-dithian-2-ylidene)-3-oxobutanoate is 246.04 g/mol.
Where can I buy Ethyl 2-(1,3-dithian-2-ylidene)-3-oxobutanoate?
You can request a quote for Ethyl 2-(1,3-dithian-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-(1,3-dithian-2-ylidene)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(1,3-dithian-2-ylidene)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.