Tert-butyl (2-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
TL;DR: Tert-butyl (2-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate (CAS 843629-76-5) is a chemical compound with molecular formula C12H21N3O3S and molecular weight 287.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
Also Known As: tert-butyl (2-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate, tert-butyl N-[2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate, (tert-butoxy)-N-{2-[5-(methylethylthio)(1,3,4-oxadiazol-2-yl)]ethyl}carboxamid e, tert-butyl {2-[5-(propan-2-ylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}carbamate, TERT-BUTYL N-{2-[5-(PROPAN-2-YLSULFANYL)-1,3,4-OXADIAZOL-2-YL]ETHYL}CARBAMATE
| Molecular Formula | C12H21N3O3S |
|---|---|
| Molecular Weight | 287.13 g/mol |
| LogP | 2.6373 |
| Topological Polar Surface Area | 77.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.13037 |
| Heavy Atoms | 19 |
| Complexity | 412.59726 |
Chemical Identifiers
| CAS Number | 843629-76-5 |
|---|---|
| SMILES | CC(C)SC1=NN=C(O1)CCNC(=O)OC(C)(C)C |
Product Overview
Tert-butyl (2-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate (CAS 843629-76-5), with molecular formula C12H21N3O3S and molecular weight 287.13 g/mol. IUPAC: tert-butyl N-[2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.
Chemical Property Profile of Tert-butyl (2-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
Property Insights of Tert-butyl (2-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
The XLogP value of 2.6373 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl (2-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate. The TPSA of 77.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl (2-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate. Following Lipinski's Rule of Five, Tert-butyl (2-(5-(isopropylthio)-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-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The CAS number of Tert-butyl (2-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is 843629-76-5.
What is the molecular formula of Tert-butyl (2-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The molecular formula of Tert-butyl (2-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is C12H21N3O3S.
What is the molecular weight of Tert-butyl (2-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The molecular weight of Tert-butyl (2-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is 287.13 g/mol.
Where can I buy Tert-butyl (2-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
You can request a quote for Tert-butyl (2-(5-(isopropylthio)-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-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl (2-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.