RefChem:1072051
TL;DR: RefChem:1072051 (CAS 29766-64-1) is a chemical compound with molecular formula C12H18N2O3 and molecular weight 238.13174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 6-methyl-4-oxo-1,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrimidine-3-carboxylate
Also Known As: 4H-Pyrido[1,2-a]pyrimidine-3-carboxylic acid, 1,6,7,8,9,9a-hexahydro-6-methyl-4-oxo-, ethyl ester, 4H-Pyrido(1,2-a)pyrimidine-3-carboxylic acid, 1,6,7,8,9,9a-hexahydro-6-methyl-4-oxo-, ethyl ester, Ethyl 6-methyl-4-oxo-1,6,7,8,9,9a-hexahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxylate, Ethyl 6-methyl-4-oxo-1,6,7,8,9,9a-hexahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxylate #, ethyl 6-methyl-4-oxo-1,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrimidine-3-carboxylate
Technical Specifications
| Molecular Formula | C12H18N2O3 |
| Molecular Weight | 238.13174 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.13174 Da |
| Heavy Atoms | 17 |
| Complexity | 365.0 |
| SMILES | CCOC(=O)C1=CNC2CCCC(N2C1=O)C |
| InChIKey | LRNCBUQKZLZXAV-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1072051
Property Insights of RefChem:1072051
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1072051. With a topological polar surface area (TPSA) of 58.6 Ų, RefChem:1072051 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1072051 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1072051?
The CAS number of RefChem:1072051 is 29766-64-1.
What is the molecular formula of RefChem:1072051?
The molecular formula of RefChem:1072051 is C12H18N2O3.
What is the molecular weight of RefChem:1072051?
The molecular weight of RefChem:1072051 is 238.13174 g/mol.
Where can I buy RefChem:1072051?
You can request a quote for RefChem:1072051 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1072051?
Yes, CoreyChem provides custom synthesis services for RefChem:1072051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.