![2,2,4,7-tetramethyl-1-[(4H-1,2,4-triazol-3-ylthio)acetyl]-1,2-dihydroquinoline structure](/static/products/3333/333326-21-9.webp)
2,2,4,7-tetramethyl-1-[(4H-1,2,4-triazol-3-ylthio)acetyl]-1,2-dihydroquinoline
TL;DR: 2,2,4,7-tetramethyl-1-[(4H-1,2,4-triazol-3-ylthio)acetyl]-1,2-dihydroquinoline (CAS 333326-21-9) is a chemical compound with molecular formula C17H20N4OS and molecular weight 328.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,2,4,7-tetramethylquinolin-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
Also Known As: BAS 02232929, AB00121524-01, 2,2,4,7-tetramethyl-1-[(4H-1,2,4-triazol-3-ylthio)acetyl]-1,2-dihydroquinoline, 1-(2,2,4,7-tetramethylquinolin-1(2H)-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone, 1-(2,2,4,7-tetramethylquinolin-1-yl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)ethanone
| Molecular Formula | C17H20N4OS |
|---|---|
| Molecular Weight | 328.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 87.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.13577 |
| Heavy Atoms | 23 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 333326-21-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=CC(N2C(=O)CSC3=NC=NN3)(C)C)C |
| InChIKey | MHJFNFVMRYUUPQ-UHFFFAOYSA-N |
Product Overview
2,2,4,7-tetramethyl-1-[(4H-1,2,4-triazol-3-ylthio)acetyl]-1,2-dihydroquinoline (CAS 333326-21-9), with molecular formula C17H20N4OS and molecular weight 328.14 g/mol. IUPAC: 1-(2,2,4,7-tetramethylquinolin-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone.
Chemical Property Profile of 2,2,4,7-tetramethyl-1-[(4H-1,2,4-triazol-3-ylthio)acetyl]-1,2-dihydroquinoline
Property Insights of 2,2,4,7-tetramethyl-1-[(4H-1,2,4-triazol-3-ylthio)acetyl]-1,2-dihydroquinoline
The XLogP value of 3.1 indicates that 2,2,4,7-tetramethyl-1-[(4H-1,2,4-triazol-3-ylthio)acetyl]-1,2-dihydroquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,4,7-tetramethyl-1-[(4H-1,2,4-triazol-3-ylthio)acetyl]-1,2-dihydroquinoline. Following Lipinski's Rule of Five, 2,2,4,7-tetramethyl-1-[(4H-1,2,4-triazol-3-ylthio)acetyl]-1,2-dihydroquinoline has 1 hydrogen bond donor(s) and 4 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 2,2,4,7-tetramethyl-1-[(4H-1,2,4-triazol-3-ylthio)acetyl]-1,2-dihydroquinoline?
The CAS number of 2,2,4,7-tetramethyl-1-[(4H-1,2,4-triazol-3-ylthio)acetyl]-1,2-dihydroquinoline is 333326-21-9.
What is the molecular formula of 2,2,4,7-tetramethyl-1-[(4H-1,2,4-triazol-3-ylthio)acetyl]-1,2-dihydroquinoline?
The molecular formula of 2,2,4,7-tetramethyl-1-[(4H-1,2,4-triazol-3-ylthio)acetyl]-1,2-dihydroquinoline is C17H20N4OS.
What is the molecular weight of 2,2,4,7-tetramethyl-1-[(4H-1,2,4-triazol-3-ylthio)acetyl]-1,2-dihydroquinoline?
The molecular weight of 2,2,4,7-tetramethyl-1-[(4H-1,2,4-triazol-3-ylthio)acetyl]-1,2-dihydroquinoline is 328.14 g/mol.
Where can I buy 2,2,4,7-tetramethyl-1-[(4H-1,2,4-triazol-3-ylthio)acetyl]-1,2-dihydroquinoline?
You can request a quote for 2,2,4,7-tetramethyl-1-[(4H-1,2,4-triazol-3-ylthio)acetyl]-1,2-dihydroquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4,7-tetramethyl-1-[(4H-1,2,4-triazol-3-ylthio)acetyl]-1,2-dihydroquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4,7-tetramethyl-1-[(4H-1,2,4-triazol-3-ylthio)acetyl]-1,2-dihydroquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.