2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanedinitrile
TL;DR: 2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanedinitrile (CAS 59615-89-3) is a chemical compound with molecular formula C12H7N3OS and molecular weight 241.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanedinitrile
Also Known As: 2-(4-Oxo-3-phenylthiazolidin-2-ylidene)malononitrile, 2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanedinitrile, 2-(4-oxo-3-phenyl-1,3-thiazolan-2-yliden)malononitrile, 2-(4-Oxo-3-phenyl-2-thiazolidinylidene)propanedinitrile, (4-OXO-5-PHENYL-2,5-THIAZOLIDINYLIDENE)METHANE-1,1-DICARBONITRILE
| Molecular Formula | C12H7N3OS |
|---|---|
| Molecular Weight | 241.03 g/mol |
| LogP | 2.02516 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.03099 |
| Heavy Atoms | 17 |
| Complexity | 549.6538 |
Chemical Identifiers
| CAS Number | 59615-89-3 |
|---|---|
| SMILES | C1C(=O)N(C(=C(C#N)C#N)S1)C2=CC=CC=C2 |
Product Overview
2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanedinitrile (CAS 59615-89-3), with molecular formula C12H7N3OS and molecular weight 241.03 g/mol. IUPAC: 2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanedinitrile.
Chemical Property Profile of 2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanedinitrile
Property Insights of 2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanedinitrile
The XLogP value of 2.02516 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanedinitrile. The TPSA of 67.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanedinitrile. Following Lipinski's Rule of Five, 2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanedinitrile 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 2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanedinitrile?
The CAS number of 2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanedinitrile is 59615-89-3.
What is the molecular formula of 2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanedinitrile?
The molecular formula of 2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanedinitrile is C12H7N3OS.
What is the molecular weight of 2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanedinitrile?
The molecular weight of 2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanedinitrile is 241.03 g/mol.
Where can I buy 2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanedinitrile?
You can request a quote for 2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.