F0654-1494
TL;DR: F0654-1494 (CAS 847191-99-5) is a chemical compound with molecular formula C22H21N5O3S2 and molecular weight 467.11 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-thiophen-2-ylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(2-phenylethyl)acetamide
Also Known As: F0654-1494, 2-((6,8-dimethyl-5,7-dioxo-2-(thiophen-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-phenethylacetamide, 2-{[6,8-dimethyl-5,7-dioxo-2-(thiophen-2-yl)-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide, 2-(1,3-dimethyl-2,4-dioxo-7-thiophen-2-ylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(2-phenylethyl)acetamide, 2-(1,3-dimethyl-2,4-dioxo-7-thiophen-2-ylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-phenethylacetamide
| Molecular Formula | C22H21N5O3S2 |
|---|---|
| Molecular Weight | 467.11 g/mol |
| LogP | 2.2067 |
| Topological Polar Surface Area | 98.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 467.10858 |
| Heavy Atoms | 32 |
| Complexity | 1378.9563 |
Chemical Identifiers
| CAS Number | 847191-99-5 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3=CC=CS3)SCC(=O)NCCC4=CC=CC=C4)C(=O)N(C1=O)C |
Product Overview
F0654-1494 (CAS 847191-99-5), with molecular formula C22H21N5O3S2 and molecular weight 467.11 g/mol. IUPAC: 2-(1,3-dimethyl-2,4-dioxo-7-thiophen-2-ylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(2-phenylethyl)acetamide.
Chemical Property Profile of F0654-1494
Property Insights of F0654-1494
The XLogP value of 2.2067 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-1494. The TPSA of 98.88 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-1494. Following Lipinski's Rule of Five, F0654-1494 has 1 hydrogen bond donor(s) and 7 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 F0654-1494?
The CAS number of F0654-1494 is 847191-99-5.
What is the molecular formula of F0654-1494?
The molecular formula of F0654-1494 is C22H21N5O3S2.
What is the molecular weight of F0654-1494?
The molecular weight of F0654-1494 is 467.11 g/mol.
Where can I buy F0654-1494?
You can request a quote for F0654-1494 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-1494?
Yes, KEHONG BIO provides custom synthesis services for F0654-1494 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.