tert-butyl (5-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate
TL;DR: tert-butyl (5-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate (CAS 577789-90-3) 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-[5-[5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentyl]carbamate
Also Known As: tert-butyl (5-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate, tert-butyl (5-{5-[(3-chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}pentyl)carbamate, tert-butyl N-[5-[5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentyl]carbamate
| Molecular Formula | C19H26ClN3O3S |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 5.2528 |
| Topological Polar Surface Area | 77.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 411.13834 |
| Heavy Atoms | 27 |
| Complexity | 730.9851 |
Chemical Identifiers
| CAS Number | 577789-90-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCCCCC1=NN=C(O1)SCC2=CC(=CC=C2)Cl |
Product Overview
tert-butyl (5-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate (CAS 577789-90-3), with molecular formula C19H26ClN3O3S and molecular weight 411.14 g/mol. IUPAC: tert-butyl N-[5-[5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentyl]carbamate.
Chemical Property Profile of tert-butyl (5-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate
Property Insights of tert-butyl (5-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate
The XLogP value of 5.2528 indicates that tert-butyl (5-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)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 tert-butyl (5-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate. Following Lipinski's Rule of Five, tert-butyl (5-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)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 tert-butyl (5-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate?
The CAS number of tert-butyl (5-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate is 577789-90-3.
What is the molecular formula of tert-butyl (5-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate?
The molecular formula of tert-butyl (5-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate is C19H26ClN3O3S.
What is the molecular weight of tert-butyl (5-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate?
The molecular weight of tert-butyl (5-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate is 411.14 g/mol.
Where can I buy tert-butyl (5-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate?
You can request a quote for tert-butyl (5-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl (5-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl (5-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.