F0654-0621
TL;DR: F0654-0621 (CAS 863002-88-4) is a chemical compound with molecular formula C19H23N5O2S and molecular weight 385.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2,2-dimethylpropyl)-1,3-dimethyl-5-(pyridin-3-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: F0654-0621, 1,3-dimethyl-7-neopentyl-5-((pyridin-3-ylmethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-(2,2-dimethylpropyl)-1,3-dimethyl-5-(pyridin-3-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C19H23N5O2S |
|---|---|
| Molecular Weight | 385.16 g/mol |
| LogP | 2.3031 |
| Topological Polar Surface Area | 82.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.15726 |
| Heavy Atoms | 27 |
| Complexity | 1097.5038 |
Chemical Identifiers
| CAS Number | 863002-88-4 |
|---|---|
| SMILES | CC(C)(C)CC1=NC2=C(C(=N1)SCC3=CN=CC=C3)C(=O)N(C(=O)N2C)C |
Product Overview
F0654-0621 (CAS 863002-88-4), with molecular formula C19H23N5O2S and molecular weight 385.16 g/mol. IUPAC: 7-(2,2-dimethylpropyl)-1,3-dimethyl-5-(pyridin-3-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of F0654-0621
Property Insights of F0654-0621
The XLogP value of 2.3031 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-0621. The TPSA of 82.67 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-0621. Following Lipinski's Rule of Five, F0654-0621 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 F0654-0621?
The CAS number of F0654-0621 is 863002-88-4.
What is the molecular formula of F0654-0621?
The molecular formula of F0654-0621 is C19H23N5O2S.
What is the molecular weight of F0654-0621?
The molecular weight of F0654-0621 is 385.16 g/mol.
Where can I buy F0654-0621?
You can request a quote for F0654-0621 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-0621?
Yes, KEHONG BIO provides custom synthesis services for F0654-0621 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.