![1-[2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-1-yl]ethanone structure](/static/products/5779/577961-80-9.webp)
1-[2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-1-yl]ethanone
TL;DR: 1-[2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-1-yl]ethanone (CAS 577961-80-9) is a chemical compound with molecular formula C17H19N3OS2 and molecular weight 345.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-1-yl]ethanone
Also Known As: 1-[2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-1-yl]ethanone, AJ-292/42032298, 1-[2,2-dimethyl-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}quinolin-1(2H)-yl]ethanone, 1-[2,2-dimethyl-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1(2h)-quinolinyl]-1-ethanone, 1-acetyl-2,2-dimethyl-4-(5-methyl-1,3,4-thiadiazol2-ylthio)methyl-1,2-dihydroquinoline
| Molecular Formula | C17H19N3OS2 |
|---|---|
| Molecular Weight | 345.10 g/mol |
| LogP | 4.16732 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.09695 |
| Heavy Atoms | 23 |
| Complexity | 779.6506 |
Chemical Identifiers
| CAS Number | 577961-80-9 |
|---|---|
| SMILES | CC1=NN=C(S1)SCC2=CC(N(C3=CC=CC=C32)C(=O)C)(C)C |
Product Overview
1-[2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-1-yl]ethanone (CAS 577961-80-9), with molecular formula C17H19N3OS2 and molecular weight 345.10 g/mol. IUPAC: 1-[2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-1-yl]ethanone.
Chemical Property Profile of 1-[2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-1-yl]ethanone
Property Insights of 1-[2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-1-yl]ethanone
The XLogP value of 4.16732 indicates that 1-[2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-1-yl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.09 Ų, 1-[2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-1-yl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-1-yl]ethanone has 0 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 1-[2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-1-yl]ethanone?
The CAS number of 1-[2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-1-yl]ethanone is 577961-80-9.
What is the molecular formula of 1-[2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-1-yl]ethanone?
The molecular formula of 1-[2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-1-yl]ethanone is C17H19N3OS2.
What is the molecular weight of 1-[2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-1-yl]ethanone?
The molecular weight of 1-[2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-1-yl]ethanone is 345.10 g/mol.
Where can I buy 1-[2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-1-yl]ethanone?
You can request a quote for 1-[2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-1-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-1-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-1-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.