2-Imidazolin-4-one, 1-benzoyl-2-(acetamido-tert-butyl)thio-
TL;DR: 2-Imidazolin-4-one, 1-benzoyl-2-(acetamido-tert-butyl)thio- (CAS 69766-43-4) is a chemical compound with molecular formula C16H19N3O3S and molecular weight 333.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-benzoyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-3,3-dimethylbutanamide
Also Known As: 1-Benzoyl-2-(acetamido-tert-butyl)isothiohydantoin, 2-IMIDAZOLIN-4-ONE, 1-BENZOYL-2-(ACETAMIDO-tert-BUTYL)THIO-, N-[[3-(BENZOYL)-5-OXO-4H-IMIDAZOL-2-YL]SULFANYL]-3,3-DIMETHYLBUTANAMIDE, N-[(3-benzoyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-3,3-dimethylbutanamide, N-[(1-Benzoyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl)sulfanyl]-3,3-dimethylbutanamide
| Molecular Formula | C16H19N3O3S |
|---|---|
| Molecular Weight | 333.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.11472 |
| Heavy Atoms | 23 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 69766-43-4 |
|---|---|
| SMILES | CC(C)(C)CC(=O)NSC1=NC(=O)CN1C(=O)C2=CC=CC=C2 |
| InChIKey | MUBZRGKEKHETAE-UHFFFAOYSA-N |
Product Overview
2-Imidazolin-4-one, 1-benzoyl-2-(acetamido-tert-butyl)thio- (CAS 69766-43-4), with molecular formula C16H19N3O3S and molecular weight 333.11 g/mol. IUPAC: N-[(3-benzoyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-3,3-dimethylbutanamide.
Chemical Property Profile of 2-Imidazolin-4-one, 1-benzoyl-2-(acetamido-tert-butyl)thio-
Property Insights of 2-Imidazolin-4-one, 1-benzoyl-2-(acetamido-tert-butyl)thio-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Imidazolin-4-one, 1-benzoyl-2-(acetamido-tert-butyl)thio-. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Imidazolin-4-one, 1-benzoyl-2-(acetamido-tert-butyl)thio-. Following Lipinski's Rule of Five, 2-Imidazolin-4-one, 1-benzoyl-2-(acetamido-tert-butyl)thio- has 1 hydrogen bond donor(s) and 4 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 2-Imidazolin-4-one, 1-benzoyl-2-(acetamido-tert-butyl)thio-?
The CAS number of 2-Imidazolin-4-one, 1-benzoyl-2-(acetamido-tert-butyl)thio- is 69766-43-4.
What is the molecular formula of 2-Imidazolin-4-one, 1-benzoyl-2-(acetamido-tert-butyl)thio-?
The molecular formula of 2-Imidazolin-4-one, 1-benzoyl-2-(acetamido-tert-butyl)thio- is C16H19N3O3S.
What is the molecular weight of 2-Imidazolin-4-one, 1-benzoyl-2-(acetamido-tert-butyl)thio-?
The molecular weight of 2-Imidazolin-4-one, 1-benzoyl-2-(acetamido-tert-butyl)thio- is 333.11 g/mol.
Where can I buy 2-Imidazolin-4-one, 1-benzoyl-2-(acetamido-tert-butyl)thio-?
You can request a quote for 2-Imidazolin-4-one, 1-benzoyl-2-(acetamido-tert-butyl)thio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Imidazolin-4-one, 1-benzoyl-2-(acetamido-tert-butyl)thio-?
Yes, KEHONG BIO provides custom synthesis services for 2-Imidazolin-4-one, 1-benzoyl-2-(acetamido-tert-butyl)thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.