F0654-0653
TL;DR: F0654-0653 (CAS 1321997-13-0) is a chemical compound with molecular formula C20H20N4O2S and molecular weight 380.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-cyclopropyl-1,3-dimethyl-5-[(E)-3-phenylprop-2-enyl]sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: F0654-0653, 5-(cinnamylthio)-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-cyclopropyl-1,3-dimethyl-5-[(E)-3-phenylprop-2-enyl]sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione, 7-cyclopropyl-1,3-dimethyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C20H20N4O2S |
|---|---|
| Molecular Weight | 380.13 g/mol |
| LogP | 2.7101 |
| Topological Polar Surface Area | 69.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.1307 |
| Heavy Atoms | 27 |
| Complexity | 1144.5859 |
Chemical Identifiers
| CAS Number | 1321997-13-0 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3CC3)SC/C=C/C4=CC=CC=C4)C(=O)N(C1=O)C |
Product Overview
F0654-0653 (CAS 1321997-13-0), with molecular formula C20H20N4O2S and molecular weight 380.13 g/mol. IUPAC: 7-cyclopropyl-1,3-dimethyl-5-[(E)-3-phenylprop-2-enyl]sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of F0654-0653
Property Insights of F0654-0653
The XLogP value of 2.7101 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-0653. The TPSA of 69.78 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-0653. Following Lipinski's Rule of Five, F0654-0653 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 F0654-0653?
The CAS number of F0654-0653 is 1321997-13-0.
What is the molecular formula of F0654-0653?
The molecular formula of F0654-0653 is C20H20N4O2S.
What is the molecular weight of F0654-0653?
The molecular weight of F0654-0653 is 380.13 g/mol.
Where can I buy F0654-0653?
You can request a quote for F0654-0653 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-0653?
Yes, KEHONG BIO provides custom synthesis services for F0654-0653 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.