1-Methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid;chloride
TL;DR: 1-Methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid;chloride (CAS 6018-28-6) is a chemical compound with molecular formula C7H12ClNO2 and molecular weight 177.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid chloride
Also Known As: Arecaidine hydrochloride, Arecaidine HCl, 1,2,5,6-Tetrahydro-1-methylnicotinic acid hydrochloride, 1,2,5,6-Tetrahydro-1-methylnicotinic acid, 1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid;chloride
| Molecular Formula | C7H12ClNO2 |
|---|---|
| Molecular Weight | 177.06 g/mol |
| LogP | -4.08 |
| Topological Polar Surface Area | 41.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.05565 |
| Heavy Atoms | 11 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 6018-28-6 |
|---|---|
| SMILES | C[NH+]1CCC=C(C1)C(=O)O.[Cl-] |
| InChIKey | PIVDNPNYIBGXPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid;chloride (CAS 6018-28-6), with molecular formula C7H12ClNO2 and molecular weight 177.06 g/mol. IUPAC: 1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid chloride.
Chemical Property Profile of 1-Methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid;chloride
Property Insights of 1-Methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid;chloride
The XLogP value of -4.08 indicates that 1-Methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid;chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.7 Ų, 1-Methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid;chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid;chloride has 2 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 1-Methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid;chloride?
The CAS number of 1-Methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid;chloride is 6018-28-6.
What is the molecular formula of 1-Methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid;chloride?
The molecular formula of 1-Methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid;chloride is C7H12ClNO2.
What is the molecular weight of 1-Methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid;chloride?
The molecular weight of 1-Methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid;chloride is 177.06 g/mol.
Where can I buy 1-Methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid;chloride?
You can request a quote for 1-Methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid;chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid;chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid;chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.