(S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate
TL;DR: (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate (CAS 1173666-36-8) is a chemical compound with molecular formula C21H29N3O3S and molecular weight 403.19296 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[(1S)-3-methyl-1-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]butyl]carbamate
Also Known As: (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate, tert-butyl N-[(1S)-3-methyl-1-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]butyl]carbamate
Technical Specifications
| Molecular Formula | C21H29N3O3S |
| Molecular Weight | 403.19296 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 403.19296 Da |
| Heavy Atoms | 28 |
| Complexity | 502.0 |
| SMILES | CC(C)C[C@@H](C1=NN=C(O1)SC/C=C/C2=CC=CC=C2)NC(=O)OC(C)(C)C |
| InChIKey | BQYFFDGURDLXAC-KQPPXVQYSA-N |
Chemical Property Profile of (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate
Property Insights of (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate
The XLogP value of 5.0 indicates that (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate. Following Lipinski's Rule of Five, (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)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,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate?
The CAS number of (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate is 1173666-36-8.
What is the molecular formula of (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate?
The molecular formula of (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate is C21H29N3O3S.
What is the molecular weight of (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate?
The molecular weight of (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate is 403.19296 g/mol.
Where can I buy (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate?
You can request a quote for (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate?
Yes, CoreyChem provides custom synthesis services for (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.