methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate
TL;DR: methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate (CAS 489-45-2) is a chemical compound with molecular formula C9H16NO2+ and molecular weight 170.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate
Also Known As: Arecaidine methyl ester methiodide, 5-(methoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridinium, 3-(Methoxycarbonyl)-1,2,5,6-tetrahydro-1,1-dimethylpyridinium, 5-(methoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridin-1-ium, methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate
| Molecular Formula | C9H16NO2+ |
|---|---|
| Molecular Weight | 170.12 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.1181 |
| Heavy Atoms | 12 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 489-45-2 |
|---|---|
| SMILES | C[N+]1(CCC=C(C1)C(=O)OC)C |
| InChIKey | SGGVHEFCRBNZST-UHFFFAOYSA-N |
Product Overview
methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate (CAS 489-45-2), with molecular formula C9H16NO2+ and molecular weight 170.12 g/mol. IUPAC: methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate.
Chemical Property Profile of methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate
Property Insights of methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate 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 methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate?
The CAS number of methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate is 489-45-2.
What is the molecular formula of methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate?
The molecular formula of methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate is C9H16NO2+.
What is the molecular weight of methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate?
The molecular weight of methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate is 170.12 g/mol.
Where can I buy methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate?
You can request a quote for methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.