Butyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate
TL;DR: Butyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate (CAS 832-06-4) is a chemical compound with molecular formula C9H13NO3S and molecular weight 215.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate
Also Known As: ICI 43823, 2-Butoxycarbonylmethylene-4-oxothiazolidone, Butyl (4-oxo-2-thiazolidinylidene)acetate, butyl 2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate, 2-(n-Butyloxycarbonylmethylene)thiazolid-4-one
| Molecular Formula | C9H13NO3S |
|---|---|
| Molecular Weight | 215.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 215.06161 |
| Heavy Atoms | 14 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 832-06-4 |
|---|---|
| SMILES | CCCCOC(=O)C=C1NC(=O)CS1 |
| InChIKey | CEQQEYYFFCGBON-UHFFFAOYSA-N |
Product Overview
Butyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate (CAS 832-06-4), with molecular formula C9H13NO3S and molecular weight 215.06 g/mol. IUPAC: butyl 2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate.
Chemical Property Profile of Butyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate
Property Insights of Butyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate. Following Lipinski's Rule of Five, Butyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate has 1 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 Butyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate?
The CAS number of Butyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate is 832-06-4.
What is the molecular formula of Butyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate?
The molecular formula of Butyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate is C9H13NO3S.
What is the molecular weight of Butyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate?
The molecular weight of Butyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate is 215.06 g/mol.
Where can I buy Butyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate?
You can request a quote for Butyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for Butyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.