F0648-0747
TL;DR: F0648-0747 (CAS 852154-28-0) is a chemical compound with molecular formula C22H18F2N6O3S and molecular weight 484.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
Also Known As: F0648-0747, 2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorobenzyl)acetamide, 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide, 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
| Molecular Formula | C22H18F2N6O3S |
|---|---|
| Molecular Weight | 484.11 g/mol |
| LogP | 1.9214 |
| Topological Polar Surface Area | 125.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 484.1129 |
| Heavy Atoms | 34 |
| Complexity | 1386.0782 |
Chemical Identifiers
| CAS Number | 852154-28-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC(=O)NC(=O)N4)F |
Product Overview
F0648-0747 (CAS 852154-28-0), with molecular formula C22H18F2N6O3S and molecular weight 484.11 g/mol. IUPAC: 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide.
Chemical Property Profile of F0648-0747
Property Insights of F0648-0747
The XLogP value of 1.9214 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0648-0747. The TPSA of 125.53 Ų falls within the moderate polarity range, balancing permeability and solubility for F0648-0747. Following Lipinski's Rule of Five, F0648-0747 has 3 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 F0648-0747?
The CAS number of F0648-0747 is 852154-28-0.
What is the molecular formula of F0648-0747?
The molecular formula of F0648-0747 is C22H18F2N6O3S.
What is the molecular weight of F0648-0747?
The molecular weight of F0648-0747 is 484.11 g/mol.
Where can I buy F0648-0747?
You can request a quote for F0648-0747 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0648-0747?
Yes, KEHONG BIO provides custom synthesis services for F0648-0747 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.