Tert-butyl {1-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}carbamate
TL;DR: Tert-butyl {1-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}carbamate (CAS 899380-98-4) is a chemical compound with molecular formula C10H17N3O3S and molecular weight 259.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
Also Known As: tert-butyl {1-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}carbamate, tert-Butyl 1-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]ethylcarbamate, tert-butyl N-[1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate, tert-butyl N-{1-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}carbamate
| Molecular Formula | C10H17N3O3S |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | 2.3772 |
| Topological Polar Surface Area | 77.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.09906 |
| Heavy Atoms | 17 |
| Complexity | 386.393 |
Chemical Identifiers
| CAS Number | 899380-98-4 |
|---|---|
| SMILES | CC(C1=NN=C(O1)SC)NC(=O)OC(C)(C)C |
Product Overview
Tert-butyl {1-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}carbamate (CAS 899380-98-4), with molecular formula C10H17N3O3S and molecular weight 259.10 g/mol. IUPAC: tert-butyl N-[1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.
Chemical Property Profile of Tert-butyl {1-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}carbamate
Property Insights of Tert-butyl {1-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}carbamate
The XLogP value of 2.3772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl {1-[5-(methylsulfanyl)-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 {1-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}carbamate. Following Lipinski's Rule of Five, Tert-butyl {1-[5-(methylsulfanyl)-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 {1-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}carbamate?
The CAS number of Tert-butyl {1-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}carbamate is 899380-98-4.
What is the molecular formula of Tert-butyl {1-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}carbamate?
The molecular formula of Tert-butyl {1-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}carbamate is C10H17N3O3S.
What is the molecular weight of Tert-butyl {1-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}carbamate?
The molecular weight of Tert-butyl {1-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}carbamate is 259.10 g/mol.
Where can I buy Tert-butyl {1-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}carbamate?
You can request a quote for Tert-butyl {1-[5-(methylsulfanyl)-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 {1-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}carbamate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl {1-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.