F0654-0124
TL;DR: F0654-0124 (CAS 852169-08-5) is a chemical compound with molecular formula C17H15ClN4O3S and molecular weight 390.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: F0654-0124, 5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione, 5-[(p-chlorobenzoyl)methylthio]-1,3-dimethyl-7-methyl-1,3,6,8-tetraaza-2,4(1H,3H)-naphthalenedione, 5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3,7-trimethyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C17H15ClN4O3S |
|---|---|
| Molecular Weight | 390.06 g/mol |
| LogP | 1.96402 |
| Topological Polar Surface Area | 86.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.05533 |
| Heavy Atoms | 26 |
| Complexity | 1135.9287 |
Chemical Identifiers
| CAS Number | 852169-08-5 |
|---|---|
| SMILES | CC1=NC2=C(C(=N1)SCC(=O)C3=CC=C(C=C3)Cl)C(=O)N(C(=O)N2C)C |
Product Overview
F0654-0124 (CAS 852169-08-5), with molecular formula C17H15ClN4O3S and molecular weight 390.06 g/mol. IUPAC: 5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of F0654-0124
Property Insights of F0654-0124
The XLogP value of 1.96402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-0124. The TPSA of 86.85 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-0124. Following Lipinski's Rule of Five, F0654-0124 has 0 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 F0654-0124?
The CAS number of F0654-0124 is 852169-08-5.
What is the molecular formula of F0654-0124?
The molecular formula of F0654-0124 is C17H15ClN4O3S.
What is the molecular weight of F0654-0124?
The molecular weight of F0654-0124 is 390.06 g/mol.
Where can I buy F0654-0124?
You can request a quote for F0654-0124 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-0124?
Yes, KEHONG BIO provides custom synthesis services for F0654-0124 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.