F0654-0478
TL;DR: F0654-0478 (CAS 896677-36-4) is a chemical compound with molecular formula C18H19ClN4O2S and molecular weight 390.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: F0654-0478, 5-((4-chlorobenzyl)thio)-7-isopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 5-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione, 5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3-dimethyl-7-(propan-2-yl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C18H19ClN4O2S |
|---|---|
| Molecular Weight | 390.09 g/mol |
| LogP | 3.0963 |
| Topological Polar Surface Area | 69.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.09174 |
| Heavy Atoms | 26 |
| Complexity | 1087.517 |
Chemical Identifiers
| CAS Number | 896677-36-4 |
|---|---|
| SMILES | CC(C)C1=NC2=C(C(=N1)SCC3=CC=C(C=C3)Cl)C(=O)N(C(=O)N2C)C |
Product Overview
F0654-0478 (CAS 896677-36-4), with molecular formula C18H19ClN4O2S and molecular weight 390.09 g/mol. IUPAC: 5-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of F0654-0478
Property Insights of F0654-0478
The XLogP value of 3.0963 indicates that F0654-0478 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.78 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-0478. Following Lipinski's Rule of Five, F0654-0478 has 0 hydrogen bond donor(s) and 5 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 F0654-0478?
The CAS number of F0654-0478 is 896677-36-4.
What is the molecular formula of F0654-0478?
The molecular formula of F0654-0478 is C18H19ClN4O2S.
What is the molecular weight of F0654-0478?
The molecular weight of F0654-0478 is 390.09 g/mol.
Where can I buy F0654-0478?
You can request a quote for F0654-0478 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-0478?
Yes, KEHONG BIO provides custom synthesis services for F0654-0478 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.