![(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.png)
(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 462.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C20H26N6O3S2 |
|---|---|
| Molecular Weight | 462.15 g/mol |
| LogP | 3.1746 |
| Topological Polar Surface Area | 101.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 462.1508 |
| Heavy Atoms | 31 |
| Complexity | 1042.2983 |
Chemical Identifiers
| CAS Number | 1173662-92-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C2=NN=C3N2N=C(S3)SCC(=O)N(C)C |
Product Overview
(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), with molecular formula C20H26N6O3S2 and molecular weight 462.15 g/mol. IUPAC: 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.
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 3.1746 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 101.72 Ų falls within the moderate polarity range, balancing permeability and solubility 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. 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
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 462.15 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO 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, KEHONG BIO 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.