![2-[(3-chloro-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one structure](/static/products/119/1197545-61-1.webp)
2-[(3-chloro-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
TL;DR: 2-[(3-chloro-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CAS 1197545-61-1) is a chemical compound with molecular formula C17H16ClN3O and molecular weight 313.09818 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3-chloro-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
Also Known As: 2-[(3-chloro-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one, 2-{[(3-chloro-4-methylphenyl)amino]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Technical Specifications
| Molecular Formula | C17H16ClN3O |
| Molecular Weight | 313.09818 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.09818 Da |
| Heavy Atoms | 22 |
| Complexity | 591.0 |
| SMILES | CC1=CN2C(=NC(=CC2=O)CNC3=CC(=C(C=C3)C)Cl)C=C1 |
| InChIKey | GWSSKQJIYNQRLY-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(3-chloro-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
Property Insights of 2-[(3-chloro-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-chloro-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one. With a topological polar surface area (TPSA) of 44.7 Ų, 2-[(3-chloro-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-chloro-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[(3-chloro-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The CAS number of 2-[(3-chloro-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is 1197545-61-1.
What is the molecular formula of 2-[(3-chloro-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The molecular formula of 2-[(3-chloro-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is C17H16ClN3O.
What is the molecular weight of 2-[(3-chloro-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The molecular weight of 2-[(3-chloro-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is 313.09818 g/mol.
Where can I buy 2-[(3-chloro-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
You can request a quote for 2-[(3-chloro-4-methylanilino)methyl]-7-methylpyrido[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 2-[(3-chloro-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
Yes, CoreyChem provides custom synthesis services for 2-[(3-chloro-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.