2-(Chloromethyl)-8-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
TL;DR: 2-(Chloromethyl)-8-methyl-4H-pyrido(1,2-a)pyrimidin-4-one (CAS 87591-84-2) is a chemical compound with molecular formula C10H9ClN2O and molecular weight 208.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one
Also Known As: 2-(chloromethyl)-8-methyl-4H-pyrido[1,2-a]pyrimidin-4-one, 1,13-TETRADECADIENE, 1-(3-isopropoxyphenyl)ethanone, 2-(chloromethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one, 2-Chloromethyl-8-methyl-pyrido[1,2-a]pyrimidin-4-one
| Molecular Formula | C10H9ClN2O |
|---|---|
| Molecular Weight | 208.04 g/mol |
| LogP | 1.74172 |
| Topological Polar Surface Area | 34.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.04034 |
| Heavy Atoms | 14 |
| Complexity | 533.1233 |
Chemical Identifiers
| CAS Number | 87591-84-2 |
|---|---|
| SMILES | CC1=CC2=NC(=CC(=O)N2C=C1)CCl |
Product Overview
2-(Chloromethyl)-8-methyl-4H-pyrido(1,2-a)pyrimidin-4-one (CAS 87591-84-2), with molecular formula C10H9ClN2O and molecular weight 208.04 g/mol. IUPAC: 2-(chloromethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one.
Chemical Property Profile of 2-(Chloromethyl)-8-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
Property Insights of 2-(Chloromethyl)-8-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
The XLogP value of 1.74172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Chloromethyl)-8-methyl-4H-pyrido(1,2-a)pyrimidin-4-one. With a topological polar surface area (TPSA) of 34.37 Ų, 2-(Chloromethyl)-8-methyl-4H-pyrido(1,2-a)pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Chloromethyl)-8-methyl-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
Frequently Asked Questions
What is the CAS number of 2-(Chloromethyl)-8-methyl-4H-pyrido(1,2-a)pyrimidin-4-one?
The CAS number of 2-(Chloromethyl)-8-methyl-4H-pyrido(1,2-a)pyrimidin-4-one is 87591-84-2.
What is the molecular formula of 2-(Chloromethyl)-8-methyl-4H-pyrido(1,2-a)pyrimidin-4-one?
The molecular formula of 2-(Chloromethyl)-8-methyl-4H-pyrido(1,2-a)pyrimidin-4-one is C10H9ClN2O.
What is the molecular weight of 2-(Chloromethyl)-8-methyl-4H-pyrido(1,2-a)pyrimidin-4-one?
The molecular weight of 2-(Chloromethyl)-8-methyl-4H-pyrido(1,2-a)pyrimidin-4-one is 208.04 g/mol.
Where can I buy 2-(Chloromethyl)-8-methyl-4H-pyrido(1,2-a)pyrimidin-4-one?
You can request a quote for 2-(Chloromethyl)-8-methyl-4H-pyrido(1,2-a)pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Chloromethyl)-8-methyl-4H-pyrido(1,2-a)pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(Chloromethyl)-8-methyl-4H-pyrido(1,2-a)pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.