tert-butyl (2-(5-((2-amino-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
TL;DR: tert-butyl (2-(5-((2-amino-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate (CAS 573944-91-9) is a chemical compound with molecular formula C11H18N4O4S and molecular weight 302.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[2-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate
Also Known As: tert-butyl (2-(5-((2-amino-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate, tert-butyl (2-{5-[(2-amino-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethyl)carbamate, tert-butyl N-[2-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate
| Molecular Formula | C11H18N4O4S |
|---|---|
| Molecular Weight | 302.10 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 302.1049 |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 573944-91-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCC1=NN=C(O1)SCC(=O)N |
| InChIKey | CRXHATZWBNEOGF-UHFFFAOYSA-N |
Product Overview
tert-butyl (2-(5-((2-amino-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate (CAS 573944-91-9), with molecular formula C11H18N4O4S and molecular weight 302.10 g/mol. IUPAC: tert-butyl N-[2-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate.
Chemical Property Profile of tert-butyl (2-(5-((2-amino-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
Property Insights of tert-butyl (2-(5-((2-amino-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl (2-(5-((2-amino-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate. The TPSA of 146.0 Ų indicates high polarity, suggesting tert-butyl (2-(5-((2-amino-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, tert-butyl (2-(5-((2-amino-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate has 2 hydrogen bond donor(s) and 7 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-amino-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The CAS number of tert-butyl (2-(5-((2-amino-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is 573944-91-9.
What is the molecular formula of tert-butyl (2-(5-((2-amino-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The molecular formula of tert-butyl (2-(5-((2-amino-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is C11H18N4O4S.
What is the molecular weight of tert-butyl (2-(5-((2-amino-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The molecular weight of tert-butyl (2-(5-((2-amino-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is 302.10 g/mol.
Where can I buy tert-butyl (2-(5-((2-amino-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
You can request a quote for tert-butyl (2-(5-((2-amino-2-oxoethyl)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-amino-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl (2-(5-((2-amino-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.