(E)-ethyl 4-((2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-yl)methyl)benzoate
TL;DR: (E)-ethyl 4-((2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-yl)methyl)benzoate (CAS 1164531-35-4) is a chemical compound with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(2E)-2-(1-cyano-2-oxopropylidene)-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate
Also Known As: (E)-ethyl 4-((2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-yl)methyl)benzoate, ethyl 4-[[(2E)-2-(1-cyano-2-oxopropylidene)-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate, 4-[[(2E)-2-(1-cyano-2-keto-propylidene)-4-keto-thiazolidin-5-yl]methyl]benzoic acid ethyl ester, 4-[[(2E)-2-(1-cyano-2-oxopropylidene)-4-oxo-5-thiazolidinyl]methyl]benzoic acid ethyl ester, ethyl 4-[[(2E)-2-(1-cyano-2-oxidanylidene-propylidene)-4-oxidanylidene-1,3-thiazolidin-5-yl]methyl]benzoate
| Molecular Formula | C17H16N2O4S |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 344.08307 |
| Heavy Atoms | 24 |
| Complexity | 611.0 |
Chemical Identifiers
| CAS Number | 1164531-35-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)CC2C(=O)N/C(=C(/C#N)\C(=O)C)/S2 |
| InChIKey | BVUZYCCNQGLQCW-DTQAZKPQSA-N |
Product Overview
(E)-ethyl 4-((2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-yl)methyl)benzoate (CAS 1164531-35-4), with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol. IUPAC: ethyl 4-[[(2E)-2-(1-cyano-2-oxopropylidene)-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate.
Chemical Property Profile of (E)-ethyl 4-((2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-yl)methyl)benzoate
Property Insights of (E)-ethyl 4-((2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-yl)methyl)benzoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-ethyl 4-((2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-yl)methyl)benzoate. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 4-((2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-yl)methyl)benzoate. Following Lipinski's Rule of Five, (E)-ethyl 4-((2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-yl)methyl)benzoate has 1 hydrogen bond donor(s) and 6 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 (E)-ethyl 4-((2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-yl)methyl)benzoate?
The CAS number of (E)-ethyl 4-((2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-yl)methyl)benzoate is 1164531-35-4.
What is the molecular formula of (E)-ethyl 4-((2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-yl)methyl)benzoate?
The molecular formula of (E)-ethyl 4-((2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-yl)methyl)benzoate is C17H16N2O4S.
What is the molecular weight of (E)-ethyl 4-((2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-yl)methyl)benzoate?
The molecular weight of (E)-ethyl 4-((2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-yl)methyl)benzoate is 344.08 g/mol.
Where can I buy (E)-ethyl 4-((2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-yl)methyl)benzoate?
You can request a quote for (E)-ethyl 4-((2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-yl)methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 4-((2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-yl)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 4-((2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-yl)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.