1-Benzoyl-4-hydroxy-4-methyl-3-phenylimidazolidine-2-thione
TL;DR: 1-Benzoyl-4-hydroxy-4-methyl-3-phenylimidazolidine-2-thione (CAS 496769-52-9) is a chemical compound with molecular formula C17H16N2O2S and molecular weight 312.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-hydroxy-4-methyl-3-phenyl-2-sulfanylideneimidazolidin-1-yl)-phenylmethanone
Also Known As: 1-benzoyl-4-hydroxy-4-methyl-3-phenylimidazolidine-2-thione, AN-717/40650775, (4-hydroxy-4-methyl-3-phenyl-2-sulfanylideneimidazolidin-1-yl)-phenylmethanone
| Molecular Formula | C17H16N2O2S |
|---|---|
| Molecular Weight | 312.09 g/mol |
| LogP | 2.6424 |
| Topological Polar Surface Area | 43.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.09326 |
| Heavy Atoms | 22 |
| Complexity | 701.1136 |
Chemical Identifiers
| CAS Number | 496769-52-9 |
|---|---|
| SMILES | CC1(CN(C(=S)N1C2=CC=CC=C2)C(=O)C3=CC=CC=C3)O |
Product Overview
1-Benzoyl-4-hydroxy-4-methyl-3-phenylimidazolidine-2-thione (CAS 496769-52-9), with molecular formula C17H16N2O2S and molecular weight 312.09 g/mol. IUPAC: (4-hydroxy-4-methyl-3-phenyl-2-sulfanylideneimidazolidin-1-yl)-phenylmethanone.
Chemical Property Profile of 1-Benzoyl-4-hydroxy-4-methyl-3-phenylimidazolidine-2-thione
Property Insights of 1-Benzoyl-4-hydroxy-4-methyl-3-phenylimidazolidine-2-thione
The XLogP value of 2.6424 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzoyl-4-hydroxy-4-methyl-3-phenylimidazolidine-2-thione. With a topological polar surface area (TPSA) of 43.78 Ų, 1-Benzoyl-4-hydroxy-4-methyl-3-phenylimidazolidine-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzoyl-4-hydroxy-4-methyl-3-phenylimidazolidine-2-thione 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 1-Benzoyl-4-hydroxy-4-methyl-3-phenylimidazolidine-2-thione?
The CAS number of 1-Benzoyl-4-hydroxy-4-methyl-3-phenylimidazolidine-2-thione is 496769-52-9.
What is the molecular formula of 1-Benzoyl-4-hydroxy-4-methyl-3-phenylimidazolidine-2-thione?
The molecular formula of 1-Benzoyl-4-hydroxy-4-methyl-3-phenylimidazolidine-2-thione is C17H16N2O2S.
What is the molecular weight of 1-Benzoyl-4-hydroxy-4-methyl-3-phenylimidazolidine-2-thione?
The molecular weight of 1-Benzoyl-4-hydroxy-4-methyl-3-phenylimidazolidine-2-thione is 312.09 g/mol.
Where can I buy 1-Benzoyl-4-hydroxy-4-methyl-3-phenylimidazolidine-2-thione?
You can request a quote for 1-Benzoyl-4-hydroxy-4-methyl-3-phenylimidazolidine-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzoyl-4-hydroxy-4-methyl-3-phenylimidazolidine-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoyl-4-hydroxy-4-methyl-3-phenylimidazolidine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.