F0654-1055
TL;DR: F0654-1055 (CAS 852169-85-8) is a chemical compound with molecular formula C22H18FN5O3S and molecular weight 451.11 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-phenylacetamide
Also Known As: F0654-1055, 2-((2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-phenylacetamide, 2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-phenylacetamide, 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-phenylacetamide
| Molecular Formula | C22H18FN5O3S |
|---|---|
| Molecular Weight | 451.11 g/mol |
| LogP | 2.5641 |
| Topological Polar Surface Area | 98.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.11145 |
| Heavy Atoms | 32 |
| Complexity | 1432.9081 |
Chemical Identifiers
| CAS Number | 852169-85-8 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)F)SCC(=O)NC4=CC=CC=C4)C(=O)N(C1=O)C |
Product Overview
F0654-1055 (CAS 852169-85-8), with molecular formula C22H18FN5O3S and molecular weight 451.11 g/mol. IUPAC: 2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-phenylacetamide.
Chemical Property Profile of F0654-1055
Property Insights of F0654-1055
The XLogP value of 2.5641 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-1055. The TPSA of 98.88 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-1055. Following Lipinski's Rule of Five, F0654-1055 has 1 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 F0654-1055?
The CAS number of F0654-1055 is 852169-85-8.
What is the molecular formula of F0654-1055?
The molecular formula of F0654-1055 is C22H18FN5O3S.
What is the molecular weight of F0654-1055?
The molecular weight of F0654-1055 is 451.11 g/mol.
Where can I buy F0654-1055?
You can request a quote for F0654-1055 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-1055?
Yes, KEHONG BIO provides custom synthesis services for F0654-1055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.