F0654-1396
TL;DR: F0654-1396 (CAS 863003-81-0) is a chemical compound with molecular formula C19H15ClN4O3S and molecular weight 414.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-chlorophenyl)methylsulfanyl]-7-(furan-2-yl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: F0654-1396, 5-((3-chlorobenzyl)thio)-7-(furan-2-yl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 5-[(3-chlorophenyl)methylsulfanyl]-7-(furan-2-yl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione, 5-{[(3-chlorophenyl)methyl]sulfanyl}-7-(furan-2-yl)-1,3-dimethyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C19H15ClN4O3S |
|---|---|
| Molecular Weight | 414.06 g/mol |
| LogP | 3.2329 |
| Topological Polar Surface Area | 82.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.05533 |
| Heavy Atoms | 28 |
| Complexity | 1295.2656 |
Chemical Identifiers
| CAS Number | 863003-81-0 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3=CC=CO3)SCC4=CC(=CC=C4)Cl)C(=O)N(C1=O)C |
Product Overview
F0654-1396 (CAS 863003-81-0), with molecular formula C19H15ClN4O3S and molecular weight 414.06 g/mol. IUPAC: 5-[(3-chlorophenyl)methylsulfanyl]-7-(furan-2-yl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of F0654-1396
Property Insights of F0654-1396
The XLogP value of 3.2329 indicates that F0654-1396 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.92 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-1396. Following Lipinski's Rule of Five, F0654-1396 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 F0654-1396?
The CAS number of F0654-1396 is 863003-81-0.
What is the molecular formula of F0654-1396?
The molecular formula of F0654-1396 is C19H15ClN4O3S.
What is the molecular weight of F0654-1396?
The molecular weight of F0654-1396 is 414.06 g/mol.
Where can I buy F0654-1396?
You can request a quote for F0654-1396 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-1396?
Yes, KEHONG BIO provides custom synthesis services for F0654-1396 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.