Methyl 1-methyl-1,4-dihydropyridine-3-carboxylate
TL;DR: Methyl 1-methyl-1,4-dihydropyridine-3-carboxylate (CAS 59138-83-9) is a chemical compound with molecular formula C8H11NO2 and molecular weight 153.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-methyl-4H-pyridine-3-carboxylate
Also Known As: methyl 1-methyl-1,4-dihydropyridine-3-carboxylate, methyl 1-methyl-4H-pyridine-3-carboxylate, methyl1-methyl-1,4-dihydronicotinate, 3-Pyridinecarboxylicacid,1,4-dihydro-1-methyl-,methylester(9CI), 1-Methyl-3-(methoxycarbonyl)-1,4-dihydropyridine
| Molecular Formula | C8H11NO2 |
|---|---|
| Molecular Weight | 153.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 153.07898 |
| Heavy Atoms | 11 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 59138-83-9 |
|---|---|
| SMILES | CN1C=CCC(=C1)C(=O)OC |
| InChIKey | UJTANRJAPQJTLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 1-methyl-1,4-dihydropyridine-3-carboxylate (CAS 59138-83-9), with molecular formula C8H11NO2 and molecular weight 153.08 g/mol. IUPAC: methyl 1-methyl-4H-pyridine-3-carboxylate.
Chemical Property Profile of Methyl 1-methyl-1,4-dihydropyridine-3-carboxylate
Property Insights of Methyl 1-methyl-1,4-dihydropyridine-3-carboxylate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-methyl-1,4-dihydropyridine-3-carboxylate. With a topological polar surface area (TPSA) of 29.5 Ų, Methyl 1-methyl-1,4-dihydropyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-methyl-1,4-dihydropyridine-3-carboxylate has 0 hydrogen bond donor(s) and 3 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 Methyl 1-methyl-1,4-dihydropyridine-3-carboxylate?
The CAS number of Methyl 1-methyl-1,4-dihydropyridine-3-carboxylate is 59138-83-9.
What is the molecular formula of Methyl 1-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular formula of Methyl 1-methyl-1,4-dihydropyridine-3-carboxylate is C8H11NO2.
What is the molecular weight of Methyl 1-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular weight of Methyl 1-methyl-1,4-dihydropyridine-3-carboxylate is 153.08 g/mol.
Where can I buy Methyl 1-methyl-1,4-dihydropyridine-3-carboxylate?
You can request a quote for Methyl 1-methyl-1,4-dihydropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-methyl-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-methyl-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.