(S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate
TL;DR: (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate (CAS 1173668-81-9) is a chemical compound with molecular formula C20H27ClN4O4S and molecular weight 454.14417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[(1S)-1-[5-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylbutyl]carbamate
Also Known As: (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate, tert-butyl N-[(1S)-1-[5-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylbutyl]carbamate
Technical Specifications
| Molecular Formula | C20H27ClN4O4S |
| Molecular Weight | 454.14417 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 454.14417 Da |
| Heavy Atoms | 30 |
| Complexity | 575.0 |
| SMILES | CC(C)C[C@@H](C1=NN=C(O1)SCC(=O)NC2=CC(=CC=C2)Cl)NC(=O)OC(C)(C)C |
| InChIKey | IPIGDUGWUWVHSX-HNNXBMFYSA-N |
Chemical Property Profile of (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate
Property Insights of (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate
The XLogP value of 4.4 indicates that (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-3-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 (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate. Following Lipinski's Rule of Five, (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-3-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
What is the CAS number of (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate?
The CAS number of (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate is 1173668-81-9.
What is the molecular formula of (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate?
The molecular formula of (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate is C20H27ClN4O4S.
What is the molecular weight of (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate?
The molecular weight of (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate is 454.14417 g/mol.
Where can I buy (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate?
You can request a quote for (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate?
Yes, CoreyChem provides custom synthesis services for (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.