3-Benzoyl-1-phenyl-2-thioxo-imidazolidin-4-one
TL;DR: 3-Benzoyl-1-phenyl-2-thioxo-imidazolidin-4-one (CAS 87544-52-3) is a chemical compound with molecular formula C16H12N2O2S and molecular weight 296.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzoyl-1-phenyl-2-sulfanylideneimidazolidin-4-one
Also Known As: 3-Benzoyl-1-phenyl-2-thioxo-imidazolidin-4-one, BAS 00458488, 3-benzoyl-1-phenyl-2-sulfanylideneimidazolidin-4-one, 3-benzoyl-1-phenyl-2-thioxo-4-imidazolidinone, BRD-K84488199-001-09-3
| Molecular Formula | C16H12N2O2S |
|---|---|
| Molecular Weight | 296.06 g/mol |
| LogP | 2.4605 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.06195 |
| Heavy Atoms | 21 |
| Complexity | 700.7316 |
Chemical Identifiers
| CAS Number | 87544-52-3 |
|---|---|
| SMILES | C1C(=O)N(C(=S)N1C2=CC=CC=C2)C(=O)C3=CC=CC=C3 |
Product Overview
3-Benzoyl-1-phenyl-2-thioxo-imidazolidin-4-one (CAS 87544-52-3), with molecular formula C16H12N2O2S and molecular weight 296.06 g/mol. IUPAC: 3-benzoyl-1-phenyl-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 3-Benzoyl-1-phenyl-2-thioxo-imidazolidin-4-one
Property Insights of 3-Benzoyl-1-phenyl-2-thioxo-imidazolidin-4-one
The XLogP value of 2.4605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzoyl-1-phenyl-2-thioxo-imidazolidin-4-one. With a topological polar surface area (TPSA) of 40.62 Ų, 3-Benzoyl-1-phenyl-2-thioxo-imidazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzoyl-1-phenyl-2-thioxo-imidazolidin-4-one has 0 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-1-phenyl-2-thioxo-imidazolidin-4-one?
The CAS number of 3-Benzoyl-1-phenyl-2-thioxo-imidazolidin-4-one is 87544-52-3.
What is the molecular formula of 3-Benzoyl-1-phenyl-2-thioxo-imidazolidin-4-one?
The molecular formula of 3-Benzoyl-1-phenyl-2-thioxo-imidazolidin-4-one is C16H12N2O2S.
What is the molecular weight of 3-Benzoyl-1-phenyl-2-thioxo-imidazolidin-4-one?
The molecular weight of 3-Benzoyl-1-phenyl-2-thioxo-imidazolidin-4-one is 296.06 g/mol.
Where can I buy 3-Benzoyl-1-phenyl-2-thioxo-imidazolidin-4-one?
You can request a quote for 3-Benzoyl-1-phenyl-2-thioxo-imidazolidin-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-1-phenyl-2-thioxo-imidazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoyl-1-phenyl-2-thioxo-imidazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.