![2-[(5,5-Dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]-N-(2-thienylmethyl)acetamide structure](/static/products/6061/606135-30-2.webp)
2-[(5,5-Dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]-N-(2-thienylmethyl)acetamide
TL;DR: 2-[(5,5-Dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]-N-(2-thienylmethyl)acetamide (CAS 606135-30-2) is a chemical compound with molecular formula C19H20N4OS2 and molecular weight 384.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
Also Known As: 2-[(5,5-Dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]-N-(2-thienylmethyl)acetamide, 2-[(5,5-Dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinolin-3-y l)sulfanyl]-N-(2-thienylmethyl)acetamide, 2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide, ACETAMIDE, 2-[(5,6-DIHYDRO-5,5-DIMETHYL-1,2,4-TRIAZOLO[3,4-A]ISOQUINOLIN-3-YL)THIO]-N-(2-THIENYLMETHYL)-, Acetamide, 2-[(5,6-dihydro-5,5-dimethyl-1,2,4-triazolo[3,4-a]isoquinolin-3-yl)thio]-N-(2-thienylmethyl)- (9CI)
| Molecular Formula | C19H20N4OS2 |
|---|---|
| Molecular Weight | 384.11 g/mol |
| LogP | 3.7063 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.10785 |
| Heavy Atoms | 26 |
| Complexity | 930.92957 |
Chemical Identifiers
| CAS Number | 606135-30-2 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C3=NN=C(N31)SCC(=O)NCC4=CC=CS4)C |
Product Overview
2-[(5,5-Dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]-N-(2-thienylmethyl)acetamide (CAS 606135-30-2), with molecular formula C19H20N4OS2 and molecular weight 384.11 g/mol. IUPAC: 2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.
Chemical Property Profile of 2-[(5,5-Dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]-N-(2-thienylmethyl)acetamide
Property Insights of 2-[(5,5-Dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]-N-(2-thienylmethyl)acetamide
The XLogP value of 3.7063 indicates that 2-[(5,5-Dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]-N-(2-thienylmethyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, 2-[(5,5-Dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]-N-(2-thienylmethyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(5,5-Dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]-N-(2-thienylmethyl)acetamide has 1 hydrogen bond donor(s) and 5 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-[(5,5-Dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]-N-(2-thienylmethyl)acetamide?
The CAS number of 2-[(5,5-Dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]-N-(2-thienylmethyl)acetamide is 606135-30-2.
What is the molecular formula of 2-[(5,5-Dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]-N-(2-thienylmethyl)acetamide?
The molecular formula of 2-[(5,5-Dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]-N-(2-thienylmethyl)acetamide is C19H20N4OS2.
What is the molecular weight of 2-[(5,5-Dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]-N-(2-thienylmethyl)acetamide?
The molecular weight of 2-[(5,5-Dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]-N-(2-thienylmethyl)acetamide is 384.11 g/mol.
Where can I buy 2-[(5,5-Dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]-N-(2-thienylmethyl)acetamide?
You can request a quote for 2-[(5,5-Dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]-N-(2-thienylmethyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5,5-Dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]-N-(2-thienylmethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5,5-Dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]-N-(2-thienylmethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.