F0648-0060
TL;DR: F0648-0060 (CAS 852046-88-9) is a chemical compound with molecular formula C21H17N7O5S and molecular weight 479.10 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-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
Also Known As: F0648-0060, 2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-nitrophenyl)acetamide, 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)acetamide, 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
| Molecular Formula | C21H17N7O5S |
|---|---|
| Molecular Weight | 479.10 g/mol |
| LogP | 1.8737 |
| Topological Polar Surface Area | 168.67 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 479.1012 |
| Heavy Atoms | 34 |
| Complexity | 1416.6212 |
Chemical Identifiers
| CAS Number | 852046-88-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC(=O)NC(=O)N4 |
Product Overview
F0648-0060 (CAS 852046-88-9), with molecular formula C21H17N7O5S and molecular weight 479.10 g/mol. IUPAC: 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of F0648-0060
Property Insights of F0648-0060
The XLogP value of 1.8737 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0648-0060. The TPSA of 168.67 Ų indicates high polarity, suggesting F0648-0060 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0648-0060 has 3 hydrogen bond donor(s) and 8 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 F0648-0060?
The CAS number of F0648-0060 is 852046-88-9.
What is the molecular formula of F0648-0060?
The molecular formula of F0648-0060 is C21H17N7O5S.
What is the molecular weight of F0648-0060?
The molecular weight of F0648-0060 is 479.10 g/mol.
Where can I buy F0648-0060?
You can request a quote for F0648-0060 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0648-0060?
Yes, KEHONG BIO provides custom synthesis services for F0648-0060 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.