F0648-0697
TL;DR: F0648-0697 (CAS 852153-98-1) is a chemical compound with molecular formula C24H21FN6O3S and molecular weight 492.14 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-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: F0648-0697, 6-((5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione, 6-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione, 6-{[4-(4-fluorophenyl)-5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione, 6-{[4-(p-fluorophenyl)-5-[2-oxo-2-(1,2,3,4-tetrahydro-1-quinolyl)ethylthio]-4H-1,2,4-triazol-3-yl]methyl}-2,4(1H,3H)-pyrimidinedione
| Molecular Formula | C24H21FN6O3S |
|---|---|
| Molecular Weight | 492.14 g/mol |
| LogP | 2.4453 |
| Topological Polar Surface Area | 116.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.138 |
| Heavy Atoms | 35 |
| Complexity | 1465.8829 |
Chemical Identifiers
| CAS Number | 852153-98-1 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)F)CC5=CC(=O)NC(=O)N5 |
Product Overview
F0648-0697 (CAS 852153-98-1), with molecular formula C24H21FN6O3S and molecular weight 492.14 g/mol. IUPAC: 6-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of F0648-0697
Property Insights of F0648-0697
The XLogP value of 2.4453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0648-0697. The TPSA of 116.74 Ų falls within the moderate polarity range, balancing permeability and solubility for F0648-0697. Following Lipinski's Rule of Five, F0648-0697 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 F0648-0697?
The CAS number of F0648-0697 is 852153-98-1.
What is the molecular formula of F0648-0697?
The molecular formula of F0648-0697 is C24H21FN6O3S.
What is the molecular weight of F0648-0697?
The molecular weight of F0648-0697 is 492.14 g/mol.
Where can I buy F0648-0697?
You can request a quote for F0648-0697 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0648-0697?
Yes, KEHONG BIO provides custom synthesis services for F0648-0697 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.