tert-butyl (2-(5-(butylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
TL;DR: tert-butyl (2-(5-(butylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate (CAS 842971-80-6) is a chemical compound with molecular formula C13H23N3O3S and molecular weight 301.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[2-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
Also Known As: tert-butyl (2-(5-(butylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate, tert-butyl {2-[5-(butylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}carbamate, tert-butyl N-[2-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate, Carbamic acid, [2-[5-(butylthio)-1,3,4-oxadiazol-2-yl]ethyl]-, 1,1-dimethylethyl ester, (tert-butoxy)-N-[2-(5-butylthio(1,3,4-oxadiazol-2-yl))ethyl]carboxamide
| Molecular Formula | C13H23N3O3S |
|---|---|
| Molecular Weight | 301.15 g/mol |
| LogP | 3.029 |
| Topological Polar Surface Area | 77.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 301.14603 |
| Heavy Atoms | 20 |
| Complexity | 415.23904 |
Chemical Identifiers
| CAS Number | 842971-80-6 |
|---|---|
| SMILES | CCCCSC1=NN=C(O1)CCNC(=O)OC(C)(C)C |
Product Overview
tert-butyl (2-(5-(butylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate (CAS 842971-80-6), with molecular formula C13H23N3O3S and molecular weight 301.15 g/mol. IUPAC: tert-butyl N-[2-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.
Chemical Property Profile of tert-butyl (2-(5-(butylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
Property Insights of tert-butyl (2-(5-(butylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
The XLogP value of 3.029 indicates that tert-butyl (2-(5-(butylthio)-1,3,4-oxadiazol-2-yl)ethyl)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 (2-(5-(butylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate. Following Lipinski's Rule of Five, tert-butyl (2-(5-(butylthio)-1,3,4-oxadiazol-2-yl)ethyl)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
Frequently Asked Questions
What is the CAS number of tert-butyl (2-(5-(butylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The CAS number of tert-butyl (2-(5-(butylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is 842971-80-6.
What is the molecular formula of tert-butyl (2-(5-(butylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The molecular formula of tert-butyl (2-(5-(butylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is C13H23N3O3S.
What is the molecular weight of tert-butyl (2-(5-(butylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The molecular weight of tert-butyl (2-(5-(butylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is 301.15 g/mol.
Where can I buy tert-butyl (2-(5-(butylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
You can request a quote for tert-butyl (2-(5-(butylthio)-1,3,4-oxadiazol-2-yl)ethyl)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 (2-(5-(butylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl (2-(5-(butylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.