Pyridinium, 3-(butoxycarbonyl)-1-methyl-, methyl sulfate (1:1)
TL;DR: Pyridinium, 3-(butoxycarbonyl)-1-methyl-, methyl sulfate (1:1) (CAS 68867-59-4) is a chemical compound with molecular formula C12H19NO6S and molecular weight 305.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 1-methylpyridin-1-ium-3-carboxylate;methyl sulfate
Also Known As: Butyl N-methylnicotinium methosulfate, Pyridinium, 3-(butoxycarbonyl)-1-methyl-, methyl sulfate, 3-(butoxycarbonyl)-1-methylpyridinium methyl sulfate, Pyridinium, 1-methyl-3-(butoxycarbonyl)-, methosulfate, 3-(Butoxycarbonyl)-1-methylpyridinium methyl sulphate
| Molecular Formula | C12H19NO6S |
|---|---|
| Molecular Weight | 305.09 g/mol |
| LogP | 0.56 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.09332 |
| Heavy Atoms | 20 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 68867-59-4 |
|---|---|
| SMILES | CCCCOC(=O)C1=C[N+](=CC=C1)C.COS(=O)(=O)[O-] |
| InChIKey | PQXZEJDABLZLMP-UHFFFAOYSA-M |
Product Overview
Pyridinium, 3-(butoxycarbonyl)-1-methyl-, methyl sulfate (1:1) (CAS 68867-59-4), with molecular formula C12H19NO6S and molecular weight 305.09 g/mol. IUPAC: butyl 1-methylpyridin-1-ium-3-carboxylate;methyl sulfate.
Chemical Property Profile of Pyridinium, 3-(butoxycarbonyl)-1-methyl-, methyl sulfate (1:1)
Property Insights of Pyridinium, 3-(butoxycarbonyl)-1-methyl-, methyl sulfate (1:1)
The XLogP value of 0.56 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridinium, 3-(butoxycarbonyl)-1-methyl-, methyl sulfate (1:1). The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridinium, 3-(butoxycarbonyl)-1-methyl-, methyl sulfate (1:1). Following Lipinski's Rule of Five, Pyridinium, 3-(butoxycarbonyl)-1-methyl-, methyl sulfate (1:1) has 0 hydrogen bond donor(s) and 6 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 Pyridinium, 3-(butoxycarbonyl)-1-methyl-, methyl sulfate (1:1)?
The CAS number of Pyridinium, 3-(butoxycarbonyl)-1-methyl-, methyl sulfate (1:1) is 68867-59-4.
What is the molecular formula of Pyridinium, 3-(butoxycarbonyl)-1-methyl-, methyl sulfate (1:1)?
The molecular formula of Pyridinium, 3-(butoxycarbonyl)-1-methyl-, methyl sulfate (1:1) is C12H19NO6S.
What is the molecular weight of Pyridinium, 3-(butoxycarbonyl)-1-methyl-, methyl sulfate (1:1)?
The molecular weight of Pyridinium, 3-(butoxycarbonyl)-1-methyl-, methyl sulfate (1:1) is 305.09 g/mol.
Where can I buy Pyridinium, 3-(butoxycarbonyl)-1-methyl-, methyl sulfate (1:1)?
You can request a quote for Pyridinium, 3-(butoxycarbonyl)-1-methyl-, methyl sulfate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 3-(butoxycarbonyl)-1-methyl-, methyl sulfate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 3-(butoxycarbonyl)-1-methyl-, methyl sulfate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.