(S)-tert-butyl (1-(5-((2-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate
TL;DR: (S)-tert-butyl (1-(5-((2-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate (CAS 1173668-47-7) is a chemical compound with molecular formula C19H26ClN3O3S and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(1S)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-3-methylbutyl]carbamate
Also Known As: (S)-tert-butyl (1-(5-((2-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate, tert-butyl N-[(1S)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-3-methylbutyl]carbamate
| Molecular Formula | C19H26ClN3O3S |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 5.6272 |
| Topological Polar Surface Area | 77.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.13834 |
| Heavy Atoms | 27 |
| Complexity | 758.6533 |
Chemical Identifiers
| CAS Number | 1173668-47-7 |
|---|---|
| SMILES | CC(C)C[C@@H](C1=NN=C(O1)SCC2=CC=CC=C2Cl)NC(=O)OC(C)(C)C |
Product Overview
(S)-tert-butyl (1-(5-((2-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate (CAS 1173668-47-7), with molecular formula C19H26ClN3O3S and molecular weight 411.14 g/mol. IUPAC: tert-butyl N-[(1S)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-3-methylbutyl]carbamate.
Chemical Property Profile of (S)-tert-butyl (1-(5-((2-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate
Property Insights of (S)-tert-butyl (1-(5-((2-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate
The XLogP value of 5.6272 indicates that (S)-tert-butyl (1-(5-((2-chlorobenzyl)thio)-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 77.25 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-tert-butyl (1-(5-((2-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate. Following Lipinski's Rule of Five, (S)-tert-butyl (1-(5-((2-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)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-((2-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate?
The CAS number of (S)-tert-butyl (1-(5-((2-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate is 1173668-47-7.
What is the molecular formula of (S)-tert-butyl (1-(5-((2-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate?
The molecular formula of (S)-tert-butyl (1-(5-((2-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate is C19H26ClN3O3S.
What is the molecular weight of (S)-tert-butyl (1-(5-((2-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate?
The molecular weight of (S)-tert-butyl (1-(5-((2-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate is 411.14 g/mol.
Where can I buy (S)-tert-butyl (1-(5-((2-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate?
You can request a quote for (S)-tert-butyl (1-(5-((2-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)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-((2-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (S)-tert-butyl (1-(5-((2-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.