tert-butyl ((1S,2R)-1-(5-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate
TL;DR: tert-butyl ((1S,2R)-1-(5-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate (CAS 1164494-82-9) is a chemical compound with molecular formula C22H32N4O4S and molecular weight 448.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(1S)-1-[5-[2-(2-ethylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methylbutyl]carbamate
Also Known As: tert-butyl ((1S,2R)-1-(5-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate, tert-butyl N-[(1S)-1-[5-[2-(2-ethylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methylbutyl]carbamate
| Molecular Formula | C22H32N4O4S |
|---|---|
| Molecular Weight | 448.21 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 448.21442 |
| Heavy Atoms | 31 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 1164494-82-9 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)[C@H](C(C)CC)NC(=O)OC(C)(C)C |
| InChIKey | SNBPXMMMSKYCPX-IBYPIGCZSA-N |
Product Overview
tert-butyl ((1S,2R)-1-(5-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate (CAS 1164494-82-9), with molecular formula C22H32N4O4S and molecular weight 448.21 g/mol. IUPAC: tert-butyl N-[(1S)-1-[5-[2-(2-ethylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methylbutyl]carbamate.
Chemical Property Profile of tert-butyl ((1S,2R)-1-(5-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate
Property Insights of tert-butyl ((1S,2R)-1-(5-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate
The XLogP value of 4.6 indicates that tert-butyl ((1S,2R)-1-(5-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl ((1S,2R)-1-(5-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate. Following Lipinski's Rule of Five, tert-butyl ((1S,2R)-1-(5-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutyl)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 ((1S,2R)-1-(5-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate?
The CAS number of tert-butyl ((1S,2R)-1-(5-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate is 1164494-82-9.
What is the molecular formula of tert-butyl ((1S,2R)-1-(5-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate?
The molecular formula of tert-butyl ((1S,2R)-1-(5-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate is C22H32N4O4S.
What is the molecular weight of tert-butyl ((1S,2R)-1-(5-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate?
The molecular weight of tert-butyl ((1S,2R)-1-(5-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate is 448.21 g/mol.
Where can I buy tert-butyl ((1S,2R)-1-(5-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate?
You can request a quote for tert-butyl ((1S,2R)-1-(5-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutyl)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 ((1S,2R)-1-(5-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl ((1S,2R)-1-(5-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.