![4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl propanoate structure](/static/products/6909/690981-28-3.webp)
4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl propanoate
TL;DR: 4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl propanoate (CAS 690981-28-3) is a chemical compound with molecular formula C13H11NO3S2 and molecular weight 293.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] propanoate
Also Known As: (Z)-4-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenyl propionate, 4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl propionate, 4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl propanoate, [4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] propanoate
| Molecular Formula | C13H11NO3S2 |
|---|---|
| Molecular Weight | 293.02 g/mol |
| LogP | 2.4908 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.01804 |
| Heavy Atoms | 19 |
| Complexity | 563.756 |
Chemical Identifiers
| CAS Number | 690981-28-3 |
|---|---|
| SMILES | CCC(=O)OC1=CC=C(C=C1)/C=C\2/C(=O)NC(=S)S2 |
Product Overview
4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl propanoate (CAS 690981-28-3), with molecular formula C13H11NO3S2 and molecular weight 293.02 g/mol. IUPAC: [4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] propanoate.
Chemical Property Profile of 4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl propanoate
Property Insights of 4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl propanoate
The XLogP value of 2.4908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl propanoate. With a topological polar surface area (TPSA) of 55.4 Ų, 4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl propanoate has 1 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 4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl propanoate?
The CAS number of 4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl propanoate is 690981-28-3.
What is the molecular formula of 4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl propanoate?
The molecular formula of 4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl propanoate is C13H11NO3S2.
What is the molecular weight of 4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl propanoate?
The molecular weight of 4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl propanoate is 293.02 g/mol.
Where can I buy 4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl propanoate?
You can request a quote for 4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.