Choline, chloride, isonicotinate, N-oxide
TL;DR: Choline, chloride, isonicotinate, N-oxide (CAS 51505-40-9) is a chemical compound with molecular formula C11H17ClN2O3 and molecular weight 260.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-chloro-2-(1-oxido-2H-pyridine-4-carbonyl)oxyethyl]-trimethylazanium
Also Known As: Choline, chloride, isonicotinate, N-oxide, N-Tlenku izonikotynianu chlorku choliny, N-Tlenku izonikotynianu chlorku choliny [Polish], Ethanaminium, 2-((4-pyridinylcarbonyl)oxy)-N,N,N-trimethyl-, chloride, N-oxide, [1-chloro-2-(1-oxido-2H-pyridine-4-carbonyl)oxyethyl]-trimethylazanium
| Molecular Formula | C11H17ClN2O3 |
|---|---|
| Molecular Weight | 260.09 g/mol |
| LogP | 1.0542 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.09277 |
| Heavy Atoms | 17 |
| Complexity | 347.11594 |
Chemical Identifiers
| CAS Number | 51505-40-9 |
|---|---|
| SMILES | C[N+](C)(C)C(COC(=O)C1=CCN(C=C1)[O-])Cl |
Product Overview
Choline, chloride, isonicotinate, N-oxide (CAS 51505-40-9), with molecular formula C11H17ClN2O3 and molecular weight 260.09 g/mol. IUPAC: [1-chloro-2-(1-oxido-2H-pyridine-4-carbonyl)oxyethyl]-trimethylazanium.
Chemical Property Profile of Choline, chloride, isonicotinate, N-oxide
Property Insights of Choline, chloride, isonicotinate, N-oxide
The XLogP value of 1.0542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Choline, chloride, isonicotinate, N-oxide. With a topological polar surface area (TPSA) of 52.6 Ų, Choline, chloride, isonicotinate, N-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Choline, chloride, isonicotinate, N-oxide has 0 hydrogen bond donor(s) and 4 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 Choline, chloride, isonicotinate, N-oxide?
The CAS number of Choline, chloride, isonicotinate, N-oxide is 51505-40-9.
What is the molecular formula of Choline, chloride, isonicotinate, N-oxide?
The molecular formula of Choline, chloride, isonicotinate, N-oxide is C11H17ClN2O3.
What is the molecular weight of Choline, chloride, isonicotinate, N-oxide?
The molecular weight of Choline, chloride, isonicotinate, N-oxide is 260.09 g/mol.
Where can I buy Choline, chloride, isonicotinate, N-oxide?
You can request a quote for Choline, chloride, isonicotinate, N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Choline, chloride, isonicotinate, N-oxide?
Yes, KEHONG BIO provides custom synthesis services for Choline, chloride, isonicotinate, N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.