F0654-0413
TL;DR: F0654-0413 (CAS 863002-63-5) is a chemical compound with molecular formula C20H23N5O3S and molecular weight 413.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethyl-2,4-dioxo-7-propan-2-ylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(3-methylphenyl)acetamide
Also Known As: F0654-0413, 2-{[6,8-dimethyl-5,7-dioxo-2-(propan-2-yl)-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(3-methylphenyl)acetamide, 2-((2-isopropyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(m-tolyl)acetamide, 2-(1,3-dimethyl-2,4-dioxo-7-propan-2-ylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(3-methylphenyl)acetamide
| Molecular Formula | C20H23N5O3S |
|---|---|
| Molecular Weight | 413.15 g/mol |
| LogP | 2.18982 |
| Topological Polar Surface Area | 98.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.15216 |
| Heavy Atoms | 29 |
| Complexity | 1213.1879 |
Chemical Identifiers
| CAS Number | 863002-63-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C(C)C |
Product Overview
F0654-0413 (CAS 863002-63-5), with molecular formula C20H23N5O3S and molecular weight 413.15 g/mol. IUPAC: 2-(1,3-dimethyl-2,4-dioxo-7-propan-2-ylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(3-methylphenyl)acetamide.
Chemical Property Profile of F0654-0413
Property Insights of F0654-0413
The XLogP value of 2.18982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-0413. The TPSA of 98.88 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-0413. Following Lipinski's Rule of Five, F0654-0413 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 F0654-0413?
The CAS number of F0654-0413 is 863002-63-5.
What is the molecular formula of F0654-0413?
The molecular formula of F0654-0413 is C20H23N5O3S.
What is the molecular weight of F0654-0413?
The molecular weight of F0654-0413 is 413.15 g/mol.
Where can I buy F0654-0413?
You can request a quote for F0654-0413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-0413?
Yes, KEHONG BIO provides custom synthesis services for F0654-0413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.