F0654-0094
TL;DR: F0654-0094 (CAS 852168-68-4) is a chemical compound with molecular formula C17H18N4O2S and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,7-trimethyl-5-[(3-methylphenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: F0654-0094, 1,3,7-trimethyl-5-((3-methylbenzyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1,3,7-trimethyl-5-[(3-methylphenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione, 1,3,7-trimethyl-5-{[(3-methylphenyl)methyl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C17H18N4O2S |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 1.93634 |
| Topological Polar Surface Area | 69.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.11505 |
| Heavy Atoms | 24 |
| Complexity | 1052.8655 |
Chemical Identifiers
| CAS Number | 852168-68-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C |
Product Overview
F0654-0094 (CAS 852168-68-4), with molecular formula C17H18N4O2S and molecular weight 342.12 g/mol. IUPAC: 1,3,7-trimethyl-5-[(3-methylphenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of F0654-0094
Property Insights of F0654-0094
The XLogP value of 1.93634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-0094. The TPSA of 69.78 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-0094. Following Lipinski's Rule of Five, F0654-0094 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 F0654-0094?
The CAS number of F0654-0094 is 852168-68-4.
What is the molecular formula of F0654-0094?
The molecular formula of F0654-0094 is C17H18N4O2S.
What is the molecular weight of F0654-0094?
The molecular weight of F0654-0094 is 342.12 g/mol.
Where can I buy F0654-0094?
You can request a quote for F0654-0094 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-0094?
Yes, KEHONG BIO provides custom synthesis services for F0654-0094 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.