Tert-butyl (2-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
TL;DR: Tert-butyl (2-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate (CAS 586993-92-2) is a chemical compound with molecular formula C13H21N3O3S and molecular weight 299.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[2-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
Also Known As: tert-butyl (2-{5-[(2-methylprop-2-en-1-yl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethyl)carbamate, tert-butyl (2-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate, tert-butyl N-[2-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate, TERT-BUTYL N-(2-{5-[(2-METHYLPROP-2-EN-1-YL)SULFANYL]-1,3,4-OXADIAZOL-2-YL}ETHYL)CARBAMATE
| Molecular Formula | C13H21N3O3S |
|---|---|
| Molecular Weight | 299.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 299.13037 |
| Heavy Atoms | 20 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 586993-92-2 |
|---|---|
| SMILES | CC(=C)CSC1=NN=C(O1)CCNC(=O)OC(C)(C)C |
| InChIKey | WGUZKKQHFABSCM-UHFFFAOYSA-N |
Product Overview
Tert-butyl (2-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate (CAS 586993-92-2), with molecular formula C13H21N3O3S and molecular weight 299.13 g/mol. IUPAC: tert-butyl N-[2-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate.
Chemical Property Profile of Tert-butyl (2-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
Property Insights of Tert-butyl (2-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl (2-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl (2-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate. Following Lipinski's Rule of Five, Tert-butyl (2-(5-((2-methylallyl)thio)-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-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The CAS number of Tert-butyl (2-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is 586993-92-2.
What is the molecular formula of Tert-butyl (2-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The molecular formula of Tert-butyl (2-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is C13H21N3O3S.
What is the molecular weight of Tert-butyl (2-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The molecular weight of Tert-butyl (2-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is 299.13 g/mol.
Where can I buy Tert-butyl (2-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
You can request a quote for Tert-butyl (2-(5-((2-methylallyl)thio)-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-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl (2-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.