(S)-tert-butyl (1-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate
TL;DR: (S)-tert-butyl (1-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate (CAS 1212412-56-0) is a chemical compound with molecular formula C22H24ClN3O3S and molecular weight 445.12268 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[(1S)-1-[5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate
Also Known As: (S)-tert-butyl (1-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate, tert-butyl [(1S)-1-{5-[(3-chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethyl]carbamate, tert-butyl N-[(1S)-1-[5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate
Technical Specifications
| Molecular Formula | C22H24ClN3O3S |
| Molecular Weight | 445.12268 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 445.12268 Da |
| Heavy Atoms | 30 |
| Complexity | 542.0 |
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C2=NN=C(O2)SCC3=CC(=CC=C3)Cl |
| InChIKey | OWUDHTWXYQREAW-SFHVURJKSA-N |
Chemical Property Profile of (S)-tert-butyl (1-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate
Property Insights of (S)-tert-butyl (1-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate
The XLogP value of 5.2 indicates that (S)-tert-butyl (1-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)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-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate. Following Lipinski's Rule of Five, (S)-tert-butyl (1-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (S)-tert-butyl (1-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
The CAS number of (S)-tert-butyl (1-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate is 1212412-56-0.
What is the molecular formula of (S)-tert-butyl (1-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
The molecular formula of (S)-tert-butyl (1-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate is C22H24ClN3O3S.
What is the molecular weight of (S)-tert-butyl (1-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
The molecular weight of (S)-tert-butyl (1-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate is 445.12268 g/mol.
Where can I buy (S)-tert-butyl (1-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
You can request a quote for (S)-tert-butyl (1-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)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-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
Yes, CoreyChem provides custom synthesis services for (S)-tert-butyl (1-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.