(S)-tert-butyl (1-(5-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate
TL;DR: (S)-tert-butyl (1-(5-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate (CAS 1173660-48-4) is a chemical compound with molecular formula C21H30N4O4S and molecular weight 434.1988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[(1S)-1-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate
Also Known As: (S)-tert-butyl (1-(5-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate, tert-butyl N-[(1S)-1-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate
Technical Specifications
| Molecular Formula | C21H30N4O4S |
| Molecular Weight | 434.1988 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 434.1988 Da |
| Heavy Atoms | 30 |
| Complexity | 584.0 |
| SMILES | CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(O2)[C@H](C(C)C)NC(=O)OC(C)(C)C)C |
| InChIKey | XTDCNLZACUNHFV-KRWDZBQOSA-N |
Chemical Property Profile of (S)-tert-butyl (1-(5-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate
Property Insights of (S)-tert-butyl (1-(5-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate
The XLogP value of 4.1 indicates that (S)-tert-butyl (1-(5-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-tert-butyl (1-(5-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate. Following Lipinski's Rule of Five, (S)-tert-butyl (1-(5-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (S)-tert-butyl (1-(5-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate?
The CAS number of (S)-tert-butyl (1-(5-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate is 1173660-48-4.
What is the molecular formula of (S)-tert-butyl (1-(5-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate?
The molecular formula of (S)-tert-butyl (1-(5-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate is C21H30N4O4S.
What is the molecular weight of (S)-tert-butyl (1-(5-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate?
The molecular weight of (S)-tert-butyl (1-(5-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate is 434.1988 g/mol.
Where can I buy (S)-tert-butyl (1-(5-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate?
You can request a quote for (S)-tert-butyl (1-(5-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-tert-butyl (1-(5-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate?
Yes, CoreyChem provides custom synthesis services for (S)-tert-butyl (1-(5-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.