1-Benzyl-4-(methoxycarbonyl)pyridinium tetrafluoroborate
TL;DR: 1-Benzyl-4-(methoxycarbonyl)pyridinium tetrafluoroborate (CAS 646477-05-6) is a chemical compound with molecular formula C14H14BF4NO2 and molecular weight 315.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-benzylpyridin-1-ium-4-carboxylate tetrafluoroborate
Also Known As: 1-benzyl-4-(methoxycarbonyl)pyridinium tetrafluoroborate, 1-benzyl-4-(methoxycarbonyl)pyridin-1-ium tetrafluoroborate, IUPAC: Methyl 1-benzylpyridine-4-carboxylate; Tetrafluoroboron, methyl 1-benzylpyridin-1-ium-4-carboxylate tetrafluoroborate, methyl 1-benzylpyridin-1-ium-4-carboxylate;tetrafluoroborate
| Molecular Formula | C14H14BF4NO2 |
|---|---|
| Molecular Weight | 315.11 g/mol |
| LogP | 3.109 |
| Topological Polar Surface Area | 30.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.10538 |
| Heavy Atoms | 22 |
| Complexity | 582.0419 |
Chemical Identifiers
| CAS Number | 646477-05-6 |
|---|---|
| SMILES | [B-](F)(F)(F)F.COC(=O)C1=CC=[N+](C=C1)CC2=CC=CC=C2 |
Product Overview
1-Benzyl-4-(methoxycarbonyl)pyridinium tetrafluoroborate (CAS 646477-05-6), with molecular formula C14H14BF4NO2 and molecular weight 315.11 g/mol. IUPAC: methyl 1-benzylpyridin-1-ium-4-carboxylate tetrafluoroborate.
Chemical Property Profile of 1-Benzyl-4-(methoxycarbonyl)pyridinium tetrafluoroborate
Property Insights of 1-Benzyl-4-(methoxycarbonyl)pyridinium tetrafluoroborate
The XLogP value of 3.109 indicates that 1-Benzyl-4-(methoxycarbonyl)pyridinium tetrafluoroborate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.18 Ų, 1-Benzyl-4-(methoxycarbonyl)pyridinium tetrafluoroborate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-4-(methoxycarbonyl)pyridinium tetrafluoroborate 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 1-Benzyl-4-(methoxycarbonyl)pyridinium tetrafluoroborate?
The CAS number of 1-Benzyl-4-(methoxycarbonyl)pyridinium tetrafluoroborate is 646477-05-6.
What is the molecular formula of 1-Benzyl-4-(methoxycarbonyl)pyridinium tetrafluoroborate?
The molecular formula of 1-Benzyl-4-(methoxycarbonyl)pyridinium tetrafluoroborate is C14H14BF4NO2.
What is the molecular weight of 1-Benzyl-4-(methoxycarbonyl)pyridinium tetrafluoroborate?
The molecular weight of 1-Benzyl-4-(methoxycarbonyl)pyridinium tetrafluoroborate is 315.11 g/mol.
Where can I buy 1-Benzyl-4-(methoxycarbonyl)pyridinium tetrafluoroborate?
You can request a quote for 1-Benzyl-4-(methoxycarbonyl)pyridinium tetrafluoroborate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-4-(methoxycarbonyl)pyridinium tetrafluoroborate?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4-(methoxycarbonyl)pyridinium tetrafluoroborate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.