ChemDiv2_006608
TL;DR: ChemDiv2_006608 (CAS 852046-57-2) is a chemical compound with molecular formula C24H22N6O3S and molecular weight 474.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: ChemDiv2_006608, IDI1_005323, 6-((5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione, 6-[(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione, 6-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
| Molecular Formula | C24H22N6O3S |
|---|---|
| Molecular Weight | 474.15 g/mol |
| LogP | 2.3062 |
| Topological Polar Surface Area | 116.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.1474 |
| Heavy Atoms | 34 |
| Complexity | 1414.5963 |
Chemical Identifiers
| CAS Number | 852046-57-2 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)CC5=CC(=O)NC(=O)N5 |
Product Overview
ChemDiv2_006608 (CAS 852046-57-2), with molecular formula C24H22N6O3S and molecular weight 474.15 g/mol. IUPAC: 6-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of ChemDiv2_006608
Property Insights of ChemDiv2_006608
The XLogP value of 2.3062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_006608. The TPSA of 116.74 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006608. Following Lipinski's Rule of Five, ChemDiv2_006608 has 2 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 ChemDiv2_006608?
The CAS number of ChemDiv2_006608 is 852046-57-2.
What is the molecular formula of ChemDiv2_006608?
The molecular formula of ChemDiv2_006608 is C24H22N6O3S.
What is the molecular weight of ChemDiv2_006608?
The molecular weight of ChemDiv2_006608 is 474.15 g/mol.
Where can I buy ChemDiv2_006608?
You can request a quote for ChemDiv2_006608 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006608?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006608 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.