ChemDiv2_006931
TL;DR: ChemDiv2_006931 (CAS 852170-95-7) is a chemical compound with molecular formula C21H16F2N4O2S and molecular weight 426.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-fluorophenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: ChemDiv2_006931, IDI1_005646, F0654-1118, 5-((3-fluorobenzyl)thio)-7-(4-fluorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-(4-fluorophenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C21H16F2N4O2S |
|---|---|
| Molecular Weight | 426.10 g/mol |
| LogP | 3.2647 |
| Topological Polar Surface Area | 69.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.0962 |
| Heavy Atoms | 30 |
| Complexity | 1381.1437 |
Chemical Identifiers
| CAS Number | 852170-95-7 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)F)SCC4=CC(=CC=C4)F)C(=O)N(C1=O)C |
Product Overview
ChemDiv2_006931 (CAS 852170-95-7), with molecular formula C21H16F2N4O2S and molecular weight 426.10 g/mol. IUPAC: 7-(4-fluorophenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of ChemDiv2_006931
Property Insights of ChemDiv2_006931
The XLogP value of 3.2647 indicates that ChemDiv2_006931 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 ChemDiv2_006931. Following Lipinski's Rule of Five, ChemDiv2_006931 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 ChemDiv2_006931?
The CAS number of ChemDiv2_006931 is 852170-95-7.
What is the molecular formula of ChemDiv2_006931?
The molecular formula of ChemDiv2_006931 is C21H16F2N4O2S.
What is the molecular weight of ChemDiv2_006931?
The molecular weight of ChemDiv2_006931 is 426.10 g/mol.
Where can I buy ChemDiv2_006931?
You can request a quote for ChemDiv2_006931 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006931?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006931 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.