(S)-tert-butyl (1-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
TL;DR: (S)-tert-butyl (1-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate (CAS 1173666-16-4) is a chemical compound with molecular formula C13H21N3O3S and molecular weight 299.13037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[(1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
Also Known As: (S)-tert-butyl (1-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate, tert-butyl [(1S)-1-{5-[(2-methylprop-2-en-1-yl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethyl]carbamate, tert-butyl N-[(1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
Technical Specifications
| Molecular Formula | C13H21N3O3S |
| Molecular Weight | 299.13037 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 299.13037 Da |
| Heavy Atoms | 20 |
| Complexity | 357.0 |
| SMILES | C[C@@H](C1=NN=C(O1)SCC(=C)C)NC(=O)OC(C)(C)C |
| InChIKey | QQLDAGIXWGJVDS-VIFPVBQESA-N |
Chemical Property Profile of (S)-tert-butyl (1-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
Property Insights of (S)-tert-butyl (1-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-tert-butyl (1-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-tert-butyl (1-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate. Following Lipinski's Rule of Five, (S)-tert-butyl (1-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate has 1 hydrogen bond donor(s) and 6 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-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The CAS number of (S)-tert-butyl (1-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is 1173666-16-4.
What is the molecular formula of (S)-tert-butyl (1-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The molecular formula of (S)-tert-butyl (1-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is C13H21N3O3S.
What is the molecular weight of (S)-tert-butyl (1-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The molecular weight of (S)-tert-butyl (1-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is 299.13037 g/mol.
Where can I buy (S)-tert-butyl (1-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
You can request a quote for (S)-tert-butyl (1-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)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-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
Yes, CoreyChem provides custom synthesis services for (S)-tert-butyl (1-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.