(S)-tert-butyl (1-(5-((2,6-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
TL;DR: (S)-tert-butyl (1-(5-((2,6-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate (CAS 1173670-23-9) is a chemical compound with molecular formula C16H19Cl2N3O3S and molecular weight 403.05243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[(1S)-1-[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate
Also Known As: (S)-tert-butyl (1-(5-((2,6-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate, N-((1S)-1-{5-[(2,6-dichlorophenyl)methylthio](1,3,4-oxadiazol-2-yl)}ethyl)(ter t-butoxy)carboxamide, tert-butyl N-[(1S)-1-[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate, TERT-BUTYL N-[1-(5-{[(2,6-DICHLOROPHENYL)METHYL]SULFANYL}-1,3,4-OXADIAZOL-2-YL)ETHYL]CARBAMATE
Technical Specifications
| Molecular Formula | C16H19Cl2N3O3S |
| Molecular Weight | 403.05243 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.05243 Da |
| Heavy Atoms | 25 |
| Complexity | 443.0 |
| SMILES | C[C@@H](C1=NN=C(O1)SCC2=C(C=CC=C2Cl)Cl)NC(=O)OC(C)(C)C |
| InChIKey | VFOHGJUSFZQIFJ-VIFPVBQESA-N |
Chemical Property Profile of (S)-tert-butyl (1-(5-((2,6-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
Property Insights of (S)-tert-butyl (1-(5-((2,6-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
The XLogP value of 4.3 indicates that (S)-tert-butyl (1-(5-((2,6-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)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)-tert-butyl (1-(5-((2,6-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate. Following Lipinski's Rule of Five, (S)-tert-butyl (1-(5-((2,6-dichlorobenzyl)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-((2,6-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The CAS number of (S)-tert-butyl (1-(5-((2,6-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is 1173670-23-9.
What is the molecular formula of (S)-tert-butyl (1-(5-((2,6-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The molecular formula of (S)-tert-butyl (1-(5-((2,6-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is C16H19Cl2N3O3S.
What is the molecular weight of (S)-tert-butyl (1-(5-((2,6-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The molecular weight of (S)-tert-butyl (1-(5-((2,6-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is 403.05243 g/mol.
Where can I buy (S)-tert-butyl (1-(5-((2,6-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
You can request a quote for (S)-tert-butyl (1-(5-((2,6-dichlorobenzyl)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-((2,6-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
Yes, CoreyChem provides custom synthesis services for (S)-tert-butyl (1-(5-((2,6-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.