7-chloro-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one
TL;DR: 7-chloro-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one (CAS 162469-87-6) is a chemical compound with molecular formula C9H6Cl2N2O and molecular weight 227.98572 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-chloro-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one
Also Known As: 7-chloro-2-(chloromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one, 7-chloro-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one, 5210AD, 4H-Pyrido[1,2-a]pyrimidin-4-one, 7-chloro-2-(chloromethyl)-, 4-(cyclopentylamino)-4-oxobutanoic acid
Technical Specifications
| Molecular Formula | C9H6Cl2N2O |
| Molecular Weight | 227.98572 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.98572 Da |
| Heavy Atoms | 14 |
| Complexity | 407.0 |
| SMILES | C1=CC2=NC(=CC(=O)N2C=C1Cl)CCl |
| InChIKey | VQYIAJIVEVIZOA-UHFFFAOYSA-N |
Chemical Property Profile of 7-chloro-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one
Property Insights of 7-chloro-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-chloro-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one. With a topological polar surface area (TPSA) of 32.7 Ų, 7-chloro-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-chloro-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-chloro-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one?
The CAS number of 7-chloro-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one is 162469-87-6.
What is the molecular formula of 7-chloro-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one?
The molecular formula of 7-chloro-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one is C9H6Cl2N2O.
What is the molecular weight of 7-chloro-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one?
The molecular weight of 7-chloro-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one is 227.98572 g/mol.
Where can I buy 7-chloro-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one?
You can request a quote for 7-chloro-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-chloro-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one?
Yes, CoreyChem provides custom synthesis services for 7-chloro-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.