F0654-1116
TL;DR: F0654-1116 (CAS 852170-91-3) is a chemical compound with molecular formula C20H17FN6O4S and molecular weight 456.10 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-(5-methyl-1,2-oxazol-3-yl)acetamide
Also Known As: F0654-1116, 2-((2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide, 2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)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-(5-methyl-1,2-oxazol-3-yl)acetamide
| Molecular Formula | C20H17FN6O4S |
|---|---|
| Molecular Weight | 456.10 g/mol |
| LogP | 1.86052 |
| Topological Polar Surface Area | 124.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.1016 |
| Heavy Atoms | 32 |
| Complexity | 1458.2095 |
Chemical Identifiers
| CAS Number | 852170-91-3 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)F |
Product Overview
F0654-1116 (CAS 852170-91-3), with molecular formula C20H17FN6O4S and molecular weight 456.10 g/mol. IUPAC: 2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
Chemical Property Profile of F0654-1116
Property Insights of F0654-1116
The XLogP value of 1.86052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-1116. The TPSA of 124.91 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-1116. Following Lipinski's Rule of Five, F0654-1116 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 F0654-1116?
The CAS number of F0654-1116 is 852170-91-3.
What is the molecular formula of F0654-1116?
The molecular formula of F0654-1116 is C20H17FN6O4S.
What is the molecular weight of F0654-1116?
The molecular weight of F0654-1116 is 456.10 g/mol.
Where can I buy F0654-1116?
You can request a quote for F0654-1116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-1116?
Yes, KEHONG BIO provides custom synthesis services for F0654-1116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.