![5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione structure](/static/products/863/863002-80-6.png)
5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione
TL;DR: 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione (CAS 863002-80-6) is a chemical compound with molecular formula C18H18ClFN4O2S and molecular weight 408.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione, 5-((2-chloro-6-fluorobenzyl)thio)-7-isopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1,3-dimethyl-7-propan-2-yl-pyrimido[4,5-d]pyrimidine-2,4-dione, 5-[(2-chloro-6-fluoro-benzyl)thio]-7-isopropyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone, 5-[(2-chloro-6-fluorophenyl)methylthio]-1,3-dimethyl-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C18H18ClFN4O2S |
|---|---|
| Molecular Weight | 408.08 g/mol |
| LogP | 3.2354 |
| Topological Polar Surface Area | 69.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.0823 |
| Heavy Atoms | 27 |
| Complexity | 1136.5275 |
Chemical Identifiers
| CAS Number | 863002-80-6 |
|---|---|
| SMILES | CC(C)C1=NC2=C(C(=N1)SCC3=C(C=CC=C3Cl)F)C(=O)N(C(=O)N2C)C |
Product Overview
5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione (CAS 863002-80-6), with molecular formula C18H18ClFN4O2S and molecular weight 408.08 g/mol. IUPAC: 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione
Property Insights of 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione
The XLogP value of 3.2354 indicates that 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione 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 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione 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 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione?
The CAS number of 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione is 863002-80-6.
What is the molecular formula of 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione?
The molecular formula of 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione is C18H18ClFN4O2S.
What is the molecular weight of 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione?
The molecular weight of 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione is 408.08 g/mol.
Where can I buy 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione?
You can request a quote for 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.