F0654-1093
TL;DR: F0654-1093 (CAS 852170-48-0) is a chemical compound with molecular formula C22H17FN6O5S and molecular weight 496.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(4-nitrophenyl)acetamide
Also Known As: F0654-1093, 2-((2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(4-nitrophenyl)acetamide, 2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(4-nitrophenyl)acetamide, 2-{[2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
| Molecular Formula | C22H17FN6O5S |
|---|---|
| Molecular Weight | 496.10 g/mol |
| LogP | 2.4723 |
| Topological Polar Surface Area | 142.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.09653 |
| Heavy Atoms | 35 |
| Complexity | 1582.2448 |
Chemical Identifiers
| CAS Number | 852170-48-0 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)F)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N(C1=O)C |
Product Overview
F0654-1093 (CAS 852170-48-0), with molecular formula C22H17FN6O5S and molecular weight 496.10 g/mol. IUPAC: 2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of F0654-1093
Property Insights of F0654-1093
The XLogP value of 2.4723 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-1093. The TPSA of 142.02 Ų indicates high polarity, suggesting F0654-1093 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0654-1093 has 1 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 F0654-1093?
The CAS number of F0654-1093 is 852170-48-0.
What is the molecular formula of F0654-1093?
The molecular formula of F0654-1093 is C22H17FN6O5S.
What is the molecular weight of F0654-1093?
The molecular weight of F0654-1093 is 496.10 g/mol.
Where can I buy F0654-1093?
You can request a quote for F0654-1093 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-1093?
Yes, KEHONG BIO provides custom synthesis services for F0654-1093 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.