(S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate
TL;DR: (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate (CAS 1173666-06-2) is a chemical compound with molecular formula C22H24FN3O3S and molecular weight 429.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(1S)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate
Also Known As: (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate, tert-butyl N-[(1S)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate
| Molecular Formula | C22H24FN3O3S |
|---|---|
| Molecular Weight | 429.15 g/mol |
| LogP | 5.3095 |
| Topological Polar Surface Area | 77.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.15225 |
| Heavy Atoms | 30 |
| Complexity | 955.76404 |
Chemical Identifiers
| CAS Number | 1173666-06-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)F |
Product Overview
(S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate (CAS 1173666-06-2), with molecular formula C22H24FN3O3S and molecular weight 429.15 g/mol. IUPAC: tert-butyl N-[(1S)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate.
Chemical Property Profile of (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate
Property Insights of (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate
The XLogP value of 5.3095 indicates that (S)-tert-butyl (1-(5-((4-fluorobenzyl)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 77.25 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate. Following Lipinski's Rule of Five, (S)-tert-butyl (1-(5-((4-fluorobenzyl)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
Frequently Asked Questions
What is the CAS number of (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
The CAS number of (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate is 1173666-06-2.
What is the molecular formula of (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
The molecular formula of (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate is C22H24FN3O3S.
What is the molecular weight of (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
The molecular weight of (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate is 429.15 g/mol.
Where can I buy (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
You can request a quote for (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.