(S)-tert-butyl (1-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate
TL;DR: (S)-tert-butyl (1-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate (CAS 1173684-41-7) is a chemical compound with molecular formula C20H29N3O3S2 and molecular weight 423.16504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[(1S)-1-[5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate
Also Known As: (S)-tert-butyl (1-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate, tert-butyl N-[(1S)-1-[5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate
Technical Specifications
| Molecular Formula | C20H29N3O3S2 |
| Molecular Weight | 423.16504 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 128.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 423.16504 Da |
| Heavy Atoms | 28 |
| Complexity | 490.0 |
| SMILES | CC1=CC(=C(C=C1)C)CSC2=NN=C(O2)[C@H](CCSC)NC(=O)OC(C)(C)C |
| InChIKey | XRSBVIRWXMUNJB-INIZCTEOSA-N |
Chemical Property Profile of (S)-tert-butyl (1-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate
Property Insights of (S)-tert-butyl (1-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate
The XLogP value of 4.4 indicates that (S)-tert-butyl (1-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-tert-butyl (1-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate. Following Lipinski's Rule of Five, (S)-tert-butyl (1-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate has 1 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-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate?
The CAS number of (S)-tert-butyl (1-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate is 1173684-41-7.
What is the molecular formula of (S)-tert-butyl (1-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate?
The molecular formula of (S)-tert-butyl (1-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate is C20H29N3O3S2.
What is the molecular weight of (S)-tert-butyl (1-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate?
The molecular weight of (S)-tert-butyl (1-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate is 423.16504 g/mol.
Where can I buy (S)-tert-butyl (1-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate?
You can request a quote for (S)-tert-butyl (1-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)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-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate?
Yes, CoreyChem provides custom synthesis services for (S)-tert-butyl (1-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.