![2-[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,7-tetramethylquinolin-1(2H)-yl)ethanone structure](/static/products/4332/433251-74-2.webp)
2-[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,7-tetramethylquinolin-1(2H)-yl)ethanone
TL;DR: 2-[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,7-tetramethylquinolin-1(2H)-yl)ethanone (CAS 433251-74-2) is a chemical compound with molecular formula C23H23N3OS3 and molecular weight 453.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone
Also Known As: 2-[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,7-tetramethylquinolin-1(2H)-yl)ethanone, 2-((4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)thio)-1-(2,2,4,7-tetramethylquinolin-1(2H)-yl)ethanone, 2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone, 2-[(4-PHENYL-5-SULFANYLIDENE-4,5-DIHYDRO-1,3,4-THIADIAZOL-2-YL)SULFANYL]-1-(2,2,4,7-TETRAMETHYL-1,2-DIHYDROQUINOLIN-1-YL)ETHAN-1-ONE, 5-{[2-oxo-2-(2,2,4,7-tetramethyl-1(2H)-quinolinyl)ethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione
| Molecular Formula | C23H23N3OS3 |
|---|---|
| Molecular Weight | 453.10 g/mol |
| LogP | 6.29251 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.1003 |
| Heavy Atoms | 30 |
| Complexity | 1191.9025 |
Chemical Identifiers
| CAS Number | 433251-74-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=CC(N2C(=O)CSC3=NN(C(=S)S3)C4=CC=CC=C4)(C)C)C |
Product Overview
2-[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,7-tetramethylquinolin-1(2H)-yl)ethanone (CAS 433251-74-2), with molecular formula C23H23N3OS3 and molecular weight 453.10 g/mol. IUPAC: 2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone.
Chemical Property Profile of 2-[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,7-tetramethylquinolin-1(2H)-yl)ethanone
Property Insights of 2-[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,7-tetramethylquinolin-1(2H)-yl)ethanone
The XLogP value of 6.29251 indicates that 2-[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,7-tetramethylquinolin-1(2H)-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.13 Ų, 2-[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,7-tetramethylquinolin-1(2H)-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,7-tetramethylquinolin-1(2H)-yl)ethanone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,7-tetramethylquinolin-1(2H)-yl)ethanone?
The CAS number of 2-[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,7-tetramethylquinolin-1(2H)-yl)ethanone is 433251-74-2.
What is the molecular formula of 2-[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,7-tetramethylquinolin-1(2H)-yl)ethanone?
The molecular formula of 2-[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,7-tetramethylquinolin-1(2H)-yl)ethanone is C23H23N3OS3.
What is the molecular weight of 2-[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,7-tetramethylquinolin-1(2H)-yl)ethanone?
The molecular weight of 2-[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,7-tetramethylquinolin-1(2H)-yl)ethanone is 453.10 g/mol.
Where can I buy 2-[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,7-tetramethylquinolin-1(2H)-yl)ethanone?
You can request a quote for 2-[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,7-tetramethylquinolin-1(2H)-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,7-tetramethylquinolin-1(2H)-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,7-tetramethylquinolin-1(2H)-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.