3-Benzoyl-5-benzylidene-2-mercapto-3,5-dihydro-imidazol-4-one
TL;DR: 3-Benzoyl-5-benzylidene-2-mercapto-3,5-dihydro-imidazol-4-one (CAS 7245-67-2) is a chemical compound with molecular formula C17H12N2O2S and molecular weight 308.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzoyl-5-benzylidene-2-sulfanylideneimidazolidin-4-one
Also Known As: 3-Benzoyl-5-benzylidene-2-mercapto-3,5-dihydro-imidazol-4-one, 3-benzoyl-5-benzylidene-2-sulfanylideneimidazolidin-4-one, 3-benzoyl-5-(phenylmethylidene)-2-sulfanylideneimidazolidin-4-one, 1-benzoyl-4-(phenylmethylidene)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one, C17H12N2O2S
| Molecular Formula | C17H12N2O2S |
|---|---|
| Molecular Weight | 308.06 g/mol |
| LogP | 2.5846 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.06195 |
| Heavy Atoms | 22 |
| Complexity | 769.7607 |
Chemical Identifiers
| CAS Number | 7245-67-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=C2C(=O)N(C(=S)N2)C(=O)C3=CC=CC=C3 |
Product Overview
3-Benzoyl-5-benzylidene-2-mercapto-3,5-dihydro-imidazol-4-one (CAS 7245-67-2), with molecular formula C17H12N2O2S and molecular weight 308.06 g/mol. IUPAC: 3-benzoyl-5-benzylidene-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 3-Benzoyl-5-benzylidene-2-mercapto-3,5-dihydro-imidazol-4-one
Property Insights of 3-Benzoyl-5-benzylidene-2-mercapto-3,5-dihydro-imidazol-4-one
The XLogP value of 2.5846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzoyl-5-benzylidene-2-mercapto-3,5-dihydro-imidazol-4-one. With a topological polar surface area (TPSA) of 49.41 Ų, 3-Benzoyl-5-benzylidene-2-mercapto-3,5-dihydro-imidazol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzoyl-5-benzylidene-2-mercapto-3,5-dihydro-imidazol-4-one has 1 hydrogen bond donor(s) and 3 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 3-Benzoyl-5-benzylidene-2-mercapto-3,5-dihydro-imidazol-4-one?
The CAS number of 3-Benzoyl-5-benzylidene-2-mercapto-3,5-dihydro-imidazol-4-one is 7245-67-2.
What is the molecular formula of 3-Benzoyl-5-benzylidene-2-mercapto-3,5-dihydro-imidazol-4-one?
The molecular formula of 3-Benzoyl-5-benzylidene-2-mercapto-3,5-dihydro-imidazol-4-one is C17H12N2O2S.
What is the molecular weight of 3-Benzoyl-5-benzylidene-2-mercapto-3,5-dihydro-imidazol-4-one?
The molecular weight of 3-Benzoyl-5-benzylidene-2-mercapto-3,5-dihydro-imidazol-4-one is 308.06 g/mol.
Where can I buy 3-Benzoyl-5-benzylidene-2-mercapto-3,5-dihydro-imidazol-4-one?
You can request a quote for 3-Benzoyl-5-benzylidene-2-mercapto-3,5-dihydro-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 3-Benzoyl-5-benzylidene-2-mercapto-3,5-dihydro-imidazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoyl-5-benzylidene-2-mercapto-3,5-dihydro-imidazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.