AB00684855-01
TL;DR: AB00684855-01 (CAS 847191-35-9) is a chemical compound with molecular formula C20H16N4O4S and molecular weight 408.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(furan-2-yl)-1,3-dimethyl-5-phenacylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: AB00684855-01, F0654-1413, 7-(furan-2-yl)-1,3-dimethyl-5-((2-oxo-2-phenylethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-(furan-2-yl)-1,3-dimethyl-5-phenacylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione, 7-(furan-2-yl)-1,3-dimethyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C20H16N4O4S |
|---|---|
| Molecular Weight | 408.09 g/mol |
| LogP | 2.2622 |
| Topological Polar Surface Area | 99.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.08923 |
| Heavy Atoms | 29 |
| Complexity | 1324.8479 |
Chemical Identifiers
| CAS Number | 847191-35-9 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3=CC=CO3)SCC(=O)C4=CC=CC=C4)C(=O)N(C1=O)C |
Product Overview
AB00684855-01 (CAS 847191-35-9), with molecular formula C20H16N4O4S and molecular weight 408.09 g/mol. IUPAC: 7-(furan-2-yl)-1,3-dimethyl-5-phenacylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of AB00684855-01
Property Insights of AB00684855-01
The XLogP value of 2.2622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684855-01. The TPSA of 99.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684855-01. Following Lipinski's Rule of Five, AB00684855-01 has 0 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 AB00684855-01?
The CAS number of AB00684855-01 is 847191-35-9.
What is the molecular formula of AB00684855-01?
The molecular formula of AB00684855-01 is C20H16N4O4S.
What is the molecular weight of AB00684855-01?
The molecular weight of AB00684855-01 is 408.09 g/mol.
Where can I buy AB00684855-01?
You can request a quote for AB00684855-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684855-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684855-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.