(S)-tert-butyl (1-(5-((3-methylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate
TL;DR: (S)-tert-butyl (1-(5-((3-methylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate (CAS 1173664-49-7) is a chemical compound with molecular formula C23H27N3O3S and molecular weight 425.1773 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[(1S)-1-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate
Also Known As: (S)-tert-butyl (1-(5-((3-methylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate, tert-butyl N-[(1S)-1-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate
Technical Specifications
| Molecular Formula | C23H27N3O3S |
| Molecular Weight | 425.1773 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 425.1773 Da |
| Heavy Atoms | 30 |
| Complexity | 536.0 |
| SMILES | CC1=CC(=CC=C1)CSC2=NN=C(O2)[C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C |
| InChIKey | ICZXFVRJGVNCIX-IBGZPJMESA-N |
Chemical Property Profile of (S)-tert-butyl (1-(5-((3-methylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate
Property Insights of (S)-tert-butyl (1-(5-((3-methylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate
The XLogP value of 5.0 indicates that (S)-tert-butyl (1-(5-((3-methylbenzyl)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-methylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate. Following Lipinski's Rule of Five, (S)-tert-butyl (1-(5-((3-methylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)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-((3-methylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
The CAS number of (S)-tert-butyl (1-(5-((3-methylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate is 1173664-49-7.
What is the molecular formula of (S)-tert-butyl (1-(5-((3-methylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
The molecular formula of (S)-tert-butyl (1-(5-((3-methylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate is C23H27N3O3S.
What is the molecular weight of (S)-tert-butyl (1-(5-((3-methylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
The molecular weight of (S)-tert-butyl (1-(5-((3-methylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate is 425.1773 g/mol.
Where can I buy (S)-tert-butyl (1-(5-((3-methylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
You can request a quote for (S)-tert-butyl (1-(5-((3-methylbenzyl)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-methylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
Yes, CoreyChem provides custom synthesis services for (S)-tert-butyl (1-(5-((3-methylbenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.