![(S)-tert-butyl (1-(6-((2-(dimethylamino)-2-oxoethyl)thio)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)-2-phenylethyl)carbamate structure](/static/products/117/1173662-92-4.webp)
(S)-tert-butyl (1-(6-((2-(dimethylamino)-2-oxoethyl)thio)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)-2-phenylethyl)carbamate
TL;DR: (S)-tert-butyl (1-(6-((2-(dimethylamino)-2-oxoethyl)thio)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)-2-phenylethyl)carbamate (CAS 1173662-92-4) is a chemical compound with molecular formula C20H26N6O3S2 and molecular weight 462.1508 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[(1S)-1-[6-[2-(dimethylamino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-phenylethyl]carbamate
Also Known As: (S)-tert-butyl (1-(6-((2-(dimethylamino)-2-oxoethyl)thio)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)-2-phenylethyl)carbamate, tert-butyl [(1S)-1-(6-{[2-(dimethylamino)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)-2-phenylethyl]carbamate, tert-butyl N-[(1S)-1-[6-[2-(dimethylamino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-phenylethyl]carbamate
Technical Specifications
| Molecular Formula | C20H26N6O3S2 |
| Molecular Weight | 462.1508 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 462.1508 Da |
| Heavy Atoms | 31 |
| Complexity | 627.0 |
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C2=NN=C3N2N=C(S3)SCC(=O)N(C)C |
| InChIKey | JZAVFGHGPRRPHK-AWEZNQCLSA-N |
Chemical Property Profile of (S)-tert-butyl (1-(6-((2-(dimethylamino)-2-oxoethyl)thio)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)-2-phenylethyl)carbamate
Property Insights of (S)-tert-butyl (1-(6-((2-(dimethylamino)-2-oxoethyl)thio)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)-2-phenylethyl)carbamate
The XLogP value of 3.2 indicates that (S)-tert-butyl (1-(6-((2-(dimethylamino)-2-oxoethyl)thio)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)-2-phenylethyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting (S)-tert-butyl (1-(6-((2-(dimethylamino)-2-oxoethyl)thio)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)-2-phenylethyl)carbamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (S)-tert-butyl (1-(6-((2-(dimethylamino)-2-oxoethyl)thio)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)-2-phenylethyl)carbamate has 1 hydrogen bond donor(s) and 8 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-(6-((2-(dimethylamino)-2-oxoethyl)thio)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)-2-phenylethyl)carbamate?
The CAS number of (S)-tert-butyl (1-(6-((2-(dimethylamino)-2-oxoethyl)thio)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)-2-phenylethyl)carbamate is 1173662-92-4.
What is the molecular formula of (S)-tert-butyl (1-(6-((2-(dimethylamino)-2-oxoethyl)thio)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)-2-phenylethyl)carbamate?
The molecular formula of (S)-tert-butyl (1-(6-((2-(dimethylamino)-2-oxoethyl)thio)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)-2-phenylethyl)carbamate is C20H26N6O3S2.
What is the molecular weight of (S)-tert-butyl (1-(6-((2-(dimethylamino)-2-oxoethyl)thio)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)-2-phenylethyl)carbamate?
The molecular weight of (S)-tert-butyl (1-(6-((2-(dimethylamino)-2-oxoethyl)thio)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)-2-phenylethyl)carbamate is 462.1508 g/mol.
Where can I buy (S)-tert-butyl (1-(6-((2-(dimethylamino)-2-oxoethyl)thio)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)-2-phenylethyl)carbamate?
You can request a quote for (S)-tert-butyl (1-(6-((2-(dimethylamino)-2-oxoethyl)thio)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)-2-phenylethyl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-tert-butyl (1-(6-((2-(dimethylamino)-2-oxoethyl)thio)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)-2-phenylethyl)carbamate?
Yes, CoreyChem provides custom synthesis services for (S)-tert-butyl (1-(6-((2-(dimethylamino)-2-oxoethyl)thio)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)-2-phenylethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.