AB00684842-01
TL;DR: AB00684842-01 (CAS 863003-46-7) is a chemical compound with molecular formula C21H17FN4O2S and molecular weight 408.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: AB00684842-01, F0654-0861, 5-((4-fluorobenzyl)thio)-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 5-[(4-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione, 5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3-dimethyl-7-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C21H17FN4O2S |
|---|---|
| Molecular Weight | 408.11 g/mol |
| LogP | 3.1256 |
| Topological Polar Surface Area | 69.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.10562 |
| Heavy Atoms | 29 |
| Complexity | 1315.3306 |
Chemical Identifiers
| CAS Number | 863003-46-7 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)SCC4=CC=C(C=C4)F)C(=O)N(C1=O)C |
Product Overview
AB00684842-01 (CAS 863003-46-7), with molecular formula C21H17FN4O2S and molecular weight 408.11 g/mol. IUPAC: 5-[(4-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of AB00684842-01
Property Insights of AB00684842-01
The XLogP value of 3.1256 indicates that AB00684842-01 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 AB00684842-01. Following Lipinski's Rule of Five, AB00684842-01 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 AB00684842-01?
The CAS number of AB00684842-01 is 863003-46-7.
What is the molecular formula of AB00684842-01?
The molecular formula of AB00684842-01 is C21H17FN4O2S.
What is the molecular weight of AB00684842-01?
The molecular weight of AB00684842-01 is 408.11 g/mol.
Where can I buy AB00684842-01?
You can request a quote for AB00684842-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684842-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684842-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.