(5E)-5-benzylidene-2-mercapto-3-phenyl-3,5-dihydro-4H-imidazol-4-one
TL;DR: (5E)-5-benzylidene-2-mercapto-3-phenyl-3,5-dihydro-4H-imidazol-4-one (CAS 145693-86-3) is a chemical compound with molecular formula C16H12N2OS and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-benzylidene-3-phenyl-2-sulfanylideneimidazolidin-4-one
Also Known As: BAS 00279200, BB 0259323, 5-Benzylidene-3-phenyl-2-thioxoimidazolidin-4-one, J3.107.767B, 2-Thioxo-3-phenyl-5-benzylideneimidazolidin-4-one
| Molecular Formula | C16H12N2OS |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 2.9488 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.06705 |
| Heavy Atoms | 20 |
| Complexity | 680.13776 |
Chemical Identifiers
| CAS Number | 145693-86-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)N2)C3=CC=CC=C3 |
Product Overview
(5E)-5-benzylidene-2-mercapto-3-phenyl-3,5-dihydro-4H-imidazol-4-one (CAS 145693-86-3), with molecular formula C16H12N2OS and molecular weight 280.07 g/mol. IUPAC: (5E)-5-benzylidene-3-phenyl-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of (5E)-5-benzylidene-2-mercapto-3-phenyl-3,5-dihydro-4H-imidazol-4-one
Property Insights of (5E)-5-benzylidene-2-mercapto-3-phenyl-3,5-dihydro-4H-imidazol-4-one
The XLogP value of 2.9488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-5-benzylidene-2-mercapto-3-phenyl-3,5-dihydro-4H-imidazol-4-one. With a topological polar surface area (TPSA) of 32.34 Ų, (5E)-5-benzylidene-2-mercapto-3-phenyl-3,5-dihydro-4H-imidazol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5E)-5-benzylidene-2-mercapto-3-phenyl-3,5-dihydro-4H-imidazol-4-one has 1 hydrogen bond donor(s) and 2 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)-5-benzylidene-2-mercapto-3-phenyl-3,5-dihydro-4H-imidazol-4-one?
The CAS number of (5E)-5-benzylidene-2-mercapto-3-phenyl-3,5-dihydro-4H-imidazol-4-one is 145693-86-3.
What is the molecular formula of (5E)-5-benzylidene-2-mercapto-3-phenyl-3,5-dihydro-4H-imidazol-4-one?
The molecular formula of (5E)-5-benzylidene-2-mercapto-3-phenyl-3,5-dihydro-4H-imidazol-4-one is C16H12N2OS.
What is the molecular weight of (5E)-5-benzylidene-2-mercapto-3-phenyl-3,5-dihydro-4H-imidazol-4-one?
The molecular weight of (5E)-5-benzylidene-2-mercapto-3-phenyl-3,5-dihydro-4H-imidazol-4-one is 280.07 g/mol.
Where can I buy (5E)-5-benzylidene-2-mercapto-3-phenyl-3,5-dihydro-4H-imidazol-4-one?
You can request a quote for (5E)-5-benzylidene-2-mercapto-3-phenyl-3,5-dihydro-4H-imidazol-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)-5-benzylidene-2-mercapto-3-phenyl-3,5-dihydro-4H-imidazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-benzylidene-2-mercapto-3-phenyl-3,5-dihydro-4H-imidazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.