3-(Methoxycarbonyl)-1-methylpyridinium chloride
TL;DR: 3-(Methoxycarbonyl)-1-methylpyridinium chloride (CAS 7680-69-5) is a chemical compound with molecular formula C8H10ClNO2 and molecular weight 187.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-methylpyridin-1-ium-3-carboxylate chloride
Also Known As: Cesol, Methylnicotinatmethochlorid, 3-(Methoxycarbonyl)-1-methylpyridinium chloride, Pyridinium, 3-(methoxycarbonyl)-1-methyl-, chloride, methyl 1-methylpyridin-1-ium-3-carboxylate chloride
| Molecular Formula | C8H10ClNO2 |
|---|---|
| Molecular Weight | 187.04 g/mol |
| LogP | -2.6983 |
| Topological Polar Surface Area | 30.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.04001 |
| Heavy Atoms | 12 |
| Complexity | 275.5153 |
Chemical Identifiers
| CAS Number | 7680-69-5 |
|---|---|
| SMILES | C[N+]1=CC=CC(=C1)C(=O)OC.[Cl-] |
Product Overview
3-(Methoxycarbonyl)-1-methylpyridinium chloride (CAS 7680-69-5), with molecular formula C8H10ClNO2 and molecular weight 187.04 g/mol. IUPAC: methyl 1-methylpyridin-1-ium-3-carboxylate chloride.
Chemical Property Profile of 3-(Methoxycarbonyl)-1-methylpyridinium chloride
Property Insights of 3-(Methoxycarbonyl)-1-methylpyridinium chloride
The XLogP value of -2.6983 indicates that 3-(Methoxycarbonyl)-1-methylpyridinium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.18 Ų, 3-(Methoxycarbonyl)-1-methylpyridinium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Methoxycarbonyl)-1-methylpyridinium chloride 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 3-(Methoxycarbonyl)-1-methylpyridinium chloride?
The CAS number of 3-(Methoxycarbonyl)-1-methylpyridinium chloride is 7680-69-5.
What is the molecular formula of 3-(Methoxycarbonyl)-1-methylpyridinium chloride?
The molecular formula of 3-(Methoxycarbonyl)-1-methylpyridinium chloride is C8H10ClNO2.
What is the molecular weight of 3-(Methoxycarbonyl)-1-methylpyridinium chloride?
The molecular weight of 3-(Methoxycarbonyl)-1-methylpyridinium chloride is 187.04 g/mol.
Where can I buy 3-(Methoxycarbonyl)-1-methylpyridinium chloride?
You can request a quote for 3-(Methoxycarbonyl)-1-methylpyridinium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methoxycarbonyl)-1-methylpyridinium chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methoxycarbonyl)-1-methylpyridinium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.