F0648-0012
TL;DR: F0648-0012 (CAS 852046-52-7) is a chemical compound with molecular formula C20H22N6O3S and molecular weight 426.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: F0648-0012, 6-((5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione, 6-[(5-{[2-oxo-2-(piperidin-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-oxo-2-piperidin-1-ylethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
| Molecular Formula | C20H22N6O3S |
|---|---|
| Molecular Weight | 426.15 g/mol |
| LogP | 1.3393 |
| Topological Polar Surface Area | 116.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.1474 |
| Heavy Atoms | 30 |
| Complexity | 1102.9387 |
Chemical Identifiers
| CAS Number | 852046-52-7 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC(=O)NC(=O)N4 |
Product Overview
F0648-0012 (CAS 852046-52-7), with molecular formula C20H22N6O3S and molecular weight 426.15 g/mol. IUPAC: 6-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of F0648-0012
Property Insights of F0648-0012
The XLogP value of 1.3393 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0648-0012. The TPSA of 116.74 Ų falls within the moderate polarity range, balancing permeability and solubility for F0648-0012. Following Lipinski's Rule of Five, F0648-0012 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 F0648-0012?
The CAS number of F0648-0012 is 852046-52-7.
What is the molecular formula of F0648-0012?
The molecular formula of F0648-0012 is C20H22N6O3S.
What is the molecular weight of F0648-0012?
The molecular weight of F0648-0012 is 426.15 g/mol.
Where can I buy F0648-0012?
You can request a quote for F0648-0012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0648-0012?
Yes, KEHONG BIO provides custom synthesis services for F0648-0012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.