F0654-0749
TL;DR: F0654-0749 (CAS 863003-23-0) is a chemical compound with molecular formula C22H20N4O2S and molecular weight 404.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-cyclopropyl-1,3-dimethyl-5-(naphthalen-1-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: F0654-0749, 7-cyclopropyl-1,3-dimethyl-5-((naphthalen-1-ylmethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-cyclopropyl-1,3-dimethyl-5-(naphthalen-1-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione, 7-cyclopropyl-1,3-dimethyl-5-{[(naphthalen-1-yl)methyl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C22H20N4O2S |
|---|---|
| Molecular Weight | 404.13 g/mol |
| LogP | 3.3501 |
| Topological Polar Surface Area | 69.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.1307 |
| Heavy Atoms | 29 |
| Complexity | 1380.4656 |
Chemical Identifiers
| CAS Number | 863003-23-0 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3CC3)SCC4=CC=CC5=CC=CC=C54)C(=O)N(C1=O)C |
Product Overview
F0654-0749 (CAS 863003-23-0), with molecular formula C22H20N4O2S and molecular weight 404.13 g/mol. IUPAC: 7-cyclopropyl-1,3-dimethyl-5-(naphthalen-1-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of F0654-0749
Property Insights of F0654-0749
The XLogP value of 3.3501 indicates that F0654-0749 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 F0654-0749. Following Lipinski's Rule of Five, F0654-0749 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 F0654-0749?
The CAS number of F0654-0749 is 863003-23-0.
What is the molecular formula of F0654-0749?
The molecular formula of F0654-0749 is C22H20N4O2S.
What is the molecular weight of F0654-0749?
The molecular weight of F0654-0749 is 404.13 g/mol.
Where can I buy F0654-0749?
You can request a quote for F0654-0749 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-0749?
Yes, KEHONG BIO provides custom synthesis services for F0654-0749 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.