![(S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide structure](/static/products/121/1212372-68-3.png)
(S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide
TL;DR: (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide (CAS 1212372-68-3) is a chemical compound with molecular formula C20H22N4O3S and molecular weight 398.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
Also Known As: (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide, 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide, 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
| Molecular Formula | C20H22N4O3S |
|---|---|
| Molecular Weight | 398.14 g/mol |
| LogP | 2.6536 |
| Topological Polar Surface Area | 77.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.14127 |
| Heavy Atoms | 28 |
| Complexity | 974.99414 |
Chemical Identifiers
| CAS Number | 1212372-68-3 |
|---|---|
| SMILES | CSCC[C@@H](C1=NN=C2N1C=CC=C2)NC(=O)CC3=CC4=C(C=C3)OCCO4 |
Product Overview
(S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide (CAS 1212372-68-3), with molecular formula C20H22N4O3S and molecular weight 398.14 g/mol. IUPAC: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide.
Chemical Property Profile of (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide
Property Insights of (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide
The XLogP value of 2.6536 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide. The TPSA of 77.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide. Following Lipinski's Rule of Five, (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide has 1 hydrogen bond donor(s) and 6 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)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide?
The CAS number of (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide is 1212372-68-3.
What is the molecular formula of (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide?
The molecular formula of (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide is C20H22N4O3S.
What is the molecular weight of (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide?
The molecular weight of (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide is 398.14 g/mol.
Where can I buy (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide?
You can request a quote for (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.