![3-(2-chloroethyl)-2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one structure](/static/products/5883/58837-22-2.webp)
3-(2-chloroethyl)-2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
TL;DR: 3-(2-chloroethyl)-2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 58837-22-2) is a chemical compound with molecular formula C12H13ClN2O and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloroethyl)-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one
Also Known As: 3-(2-chloroethyl)-2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one, AE-406/41056710, 3-(2-Chloroethyl)-2,8-dimethyl-4H-pyrido(1,2-a)pyrimidin-4-one, 3-(2-chloroethyl)-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-2,8-dimethyl-5-hydropyridino[1,2-a]pyrimidin-4-one
| Molecular Formula | C12H13ClN2O |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.07164 |
| Heavy Atoms | 16 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 58837-22-2 |
|---|---|
| SMILES | CC1=CC2=NC(=C(C(=O)N2C=C1)CCCl)C |
| InChIKey | TUXBVLXGIDGWBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-chloroethyl)-2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 58837-22-2), with molecular formula C12H13ClN2O and molecular weight 236.07 g/mol. IUPAC: 3-(2-chloroethyl)-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one.
Chemical Property Profile of 3-(2-chloroethyl)-2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
Property Insights of 3-(2-chloroethyl)-2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-chloroethyl)-2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one. With a topological polar surface area (TPSA) of 32.7 Ų, 3-(2-chloroethyl)-2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-chloroethyl)-2,8-dimethyl-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 3-(2-chloroethyl)-2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one?
The CAS number of 3-(2-chloroethyl)-2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one is 58837-22-2.
What is the molecular formula of 3-(2-chloroethyl)-2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular formula of 3-(2-chloroethyl)-2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one is C12H13ClN2O.
What is the molecular weight of 3-(2-chloroethyl)-2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular weight of 3-(2-chloroethyl)-2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one is 236.07 g/mol.
Where can I buy 3-(2-chloroethyl)-2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one?
You can request a quote for 3-(2-chloroethyl)-2,8-dimethyl-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 3-(2-chloroethyl)-2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chloroethyl)-2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.