![(5E)-1-[(4-fluorophenyl)carbonyl]-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one structure](/static/products/331/331260-66-3.png)
(5E)-1-[(4-fluorophenyl)carbonyl]-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one
TL;DR: (5E)-1-[(4-fluorophenyl)carbonyl]-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one (CAS 331260-66-3) is a chemical compound with molecular formula C16H10FN3O2S and molecular weight 327.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(4-fluorobenzoyl)-5-(pyridin-3-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
Also Known As: (5E)-1-[(4-fluorophenyl)carbonyl]-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one, 1-(4-fluorobenzoyl)-5-(3-pyridinylmethylene)-2-thioxo-4-imidazolidinone, (5E)-1-(4-fluorobenzoyl)-5-(pyridin-3-ylmethylidene)-2-sulfanylideneimidazolidin-4-one, (E)-1-(4-fluorobenzoyl)-5-(pyridin-3-ylmethylene)-2-thioxoimidazolidin-4-one, 1-(4-Fluoro-benzoyl)-5-[1-pyridin-3-yl-meth-(E)-ylidene]-2-thioxo-imidazolidin-4-one
| Molecular Formula | C16H10FN3O2S |
|---|---|
| Molecular Weight | 327.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 94.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.0478 |
| Heavy Atoms | 23 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 331260-66-3 |
|---|---|
| SMILES | C1=CC(=CN=C1)/C=C/2\C(=O)NC(=S)N2C(=O)C3=CC=C(C=C3)F |
| InChIKey | GXUAWGAWHMLSQL-MDWZMJQESA-N |
Product Overview
(5E)-1-[(4-fluorophenyl)carbonyl]-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one (CAS 331260-66-3), with molecular formula C16H10FN3O2S and molecular weight 327.05 g/mol. IUPAC: (5E)-1-(4-fluorobenzoyl)-5-(pyridin-3-ylmethylidene)-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of (5E)-1-[(4-fluorophenyl)carbonyl]-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one
Property Insights of (5E)-1-[(4-fluorophenyl)carbonyl]-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-1-[(4-fluorophenyl)carbonyl]-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one. The TPSA of 94.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-[(4-fluorophenyl)carbonyl]-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one. Following Lipinski's Rule of Five, (5E)-1-[(4-fluorophenyl)carbonyl]-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one 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 (5E)-1-[(4-fluorophenyl)carbonyl]-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one?
The CAS number of (5E)-1-[(4-fluorophenyl)carbonyl]-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one is 331260-66-3.
What is the molecular formula of (5E)-1-[(4-fluorophenyl)carbonyl]-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one?
The molecular formula of (5E)-1-[(4-fluorophenyl)carbonyl]-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one is C16H10FN3O2S.
What is the molecular weight of (5E)-1-[(4-fluorophenyl)carbonyl]-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one?
The molecular weight of (5E)-1-[(4-fluorophenyl)carbonyl]-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one is 327.05 g/mol.
Where can I buy (5E)-1-[(4-fluorophenyl)carbonyl]-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one?
You can request a quote for (5E)-1-[(4-fluorophenyl)carbonyl]-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-1-[(4-fluorophenyl)carbonyl]-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-[(4-fluorophenyl)carbonyl]-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.