F0654-1057
TL;DR: F0654-1057 (CAS 852169-89-2) is a chemical compound with molecular formula C23H20FN5O3S and molecular weight 465.13 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-(2-methylphenyl)acetamide
Also Known As: F0654-1057, 2-((2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(o-tolyl)acetamide, 2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(2-methylphenyl)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-(2-methylphenyl)acetamide
| Molecular Formula | C23H20FN5O3S |
|---|---|
| Molecular Weight | 465.13 g/mol |
| LogP | 2.87252 |
| Topological Polar Surface Area | 98.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 465.12708 |
| Heavy Atoms | 33 |
| Complexity | 1495.482 |
Chemical Identifiers
| CAS Number | 852169-89-2 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)F |
Product Overview
F0654-1057 (CAS 852169-89-2), with molecular formula C23H20FN5O3S and molecular weight 465.13 g/mol. IUPAC: 2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(2-methylphenyl)acetamide.
Chemical Property Profile of F0654-1057
Property Insights of F0654-1057
The XLogP value of 2.87252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-1057. The TPSA of 98.88 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-1057. Following Lipinski's Rule of Five, F0654-1057 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 F0654-1057?
The CAS number of F0654-1057 is 852169-89-2.
What is the molecular formula of F0654-1057?
The molecular formula of F0654-1057 is C23H20FN5O3S.
What is the molecular weight of F0654-1057?
The molecular weight of F0654-1057 is 465.13 g/mol.
Where can I buy F0654-1057?
You can request a quote for F0654-1057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-1057?
Yes, KEHONG BIO provides custom synthesis services for F0654-1057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.