Methyl 2-methyl-6-oxo-1-pentyl-1,4,5,6-tetrahydropyridine-3-carboxylate
TL;DR: Methyl 2-methyl-6-oxo-1-pentyl-1,4,5,6-tetrahydropyridine-3-carboxylate (CAS 84249-83-2) is a chemical compound with molecular formula C13H21NO3 and molecular weight 239.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-methyl-2-oxo-1-pentyl-3,4-dihydropyridine-5-carboxylate
Also Known As: methyl 2-methyl-6-oxo-1-pentyl-1,4,5,6-tetrahydropyridine-3-carboxylate, methyl 6-methyl-2-oxo-1-pentyl-3,4-dihydropyridine-5-carboxylate, METHYL 2-METHYL-6-OXO-1-PENTYL-4,5-DIHYDROPYRIDINE-3-CARBOXYLATE
| Molecular Formula | C13H21NO3 |
|---|---|
| Molecular Weight | 239.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 239.15215 |
| Heavy Atoms | 17 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 84249-83-2 |
|---|---|
| SMILES | CCCCCN1C(=C(CCC1=O)C(=O)OC)C |
| InChIKey | OEQJKBJATNCHNX-UHFFFAOYSA-N |
Product Overview
Methyl 2-methyl-6-oxo-1-pentyl-1,4,5,6-tetrahydropyridine-3-carboxylate (CAS 84249-83-2), with molecular formula C13H21NO3 and molecular weight 239.15 g/mol. IUPAC: methyl 6-methyl-2-oxo-1-pentyl-3,4-dihydropyridine-5-carboxylate.
Chemical Property Profile of Methyl 2-methyl-6-oxo-1-pentyl-1,4,5,6-tetrahydropyridine-3-carboxylate
Property Insights of Methyl 2-methyl-6-oxo-1-pentyl-1,4,5,6-tetrahydropyridine-3-carboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-methyl-6-oxo-1-pentyl-1,4,5,6-tetrahydropyridine-3-carboxylate. With a topological polar surface area (TPSA) of 46.6 Ų, Methyl 2-methyl-6-oxo-1-pentyl-1,4,5,6-tetrahydropyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-methyl-6-oxo-1-pentyl-1,4,5,6-tetrahydropyridine-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 2-methyl-6-oxo-1-pentyl-1,4,5,6-tetrahydropyridine-3-carboxylate?
The CAS number of Methyl 2-methyl-6-oxo-1-pentyl-1,4,5,6-tetrahydropyridine-3-carboxylate is 84249-83-2.
What is the molecular formula of Methyl 2-methyl-6-oxo-1-pentyl-1,4,5,6-tetrahydropyridine-3-carboxylate?
The molecular formula of Methyl 2-methyl-6-oxo-1-pentyl-1,4,5,6-tetrahydropyridine-3-carboxylate is C13H21NO3.
What is the molecular weight of Methyl 2-methyl-6-oxo-1-pentyl-1,4,5,6-tetrahydropyridine-3-carboxylate?
The molecular weight of Methyl 2-methyl-6-oxo-1-pentyl-1,4,5,6-tetrahydropyridine-3-carboxylate is 239.15 g/mol.
Where can I buy Methyl 2-methyl-6-oxo-1-pentyl-1,4,5,6-tetrahydropyridine-3-carboxylate?
You can request a quote for Methyl 2-methyl-6-oxo-1-pentyl-1,4,5,6-tetrahydropyridine-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 2-methyl-6-oxo-1-pentyl-1,4,5,6-tetrahydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-methyl-6-oxo-1-pentyl-1,4,5,6-tetrahydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.