Methyl 4-amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carboxylate
TL;DR: Methyl 4-amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carboxylate (CAS 159660-85-2) is a chemical compound with molecular formula C14H18N2O2 and molecular weight 246.13683 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate
Also Known As: METHYL 4-AMINO-1-BENZYL-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXYLATE, methyl 4-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate, J1.501.926C, 3-Pyridinecarboxylic acid, 4-amino-1,2,5,6-tetrahydro-1-(phenylmethyl)-, methyl ester, Methyl 4-amino-1-benzyl-1,2,5,6-tetrahydro-3-pyridinecarboxylate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H18N2O2 |
| Molecular Weight | 246.13683 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.13683 Da |
| Heavy Atoms | 18 |
| Complexity | 333.0 |
| SMILES | COC(=O)C1=C(CCN(C1)CC2=CC=CC=C2)N |
| InChIKey | HLKWMBMESNOAMS-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carboxylate
Property Insights of Methyl 4-amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carboxylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carboxylate. With a topological polar surface area (TPSA) of 55.6 Ų, Methyl 4-amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carboxylate 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 Methyl 4-amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carboxylate?
The CAS number of Methyl 4-amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carboxylate is 159660-85-2.
What is the molecular formula of Methyl 4-amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carboxylate?
The molecular formula of Methyl 4-amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carboxylate is C14H18N2O2.
What is the molecular weight of Methyl 4-amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carboxylate?
The molecular weight of Methyl 4-amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carboxylate is 246.13683 g/mol.
Where can I buy Methyl 4-amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carboxylate?
You can request a quote for Methyl 4-amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.