Choline, chloride, p-nitrobenzoate
TL;DR: Choline, chloride, p-nitrobenzoate (CAS 2393-24-0) is a chemical compound with molecular formula C12H17ClN2O4 and molecular weight 288.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[2-(4-nitrobenzoyl)oxyethyl]azanium chloride
Also Known As: p-Nitrobenzoylcholine chloride, Choline, chloride, p-nitrobenzoate, choline chloride p-nitrobenzoate, Ethanaminium, N,N,N-trimethyl-2-((4-nitrobenzoyl)oxy)-, chloride, n,n,n-trimethyl-2-[(4-nitrobenzoyl)oxy]ethanaminium chloride
| Molecular Formula | C12H17ClN2O4 |
|---|---|
| Molecular Weight | 288.09 g/mol |
| LogP | -1.5382 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.08768 |
| Heavy Atoms | 19 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 2393-24-0 |
|---|---|
| SMILES | C[N+](C)(C)CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-].[Cl-] |
| InChIKey | SPFNVFXOIQNESU-UHFFFAOYSA-M |
Product Overview
Choline, chloride, p-nitrobenzoate (CAS 2393-24-0), with molecular formula C12H17ClN2O4 and molecular weight 288.09 g/mol. IUPAC: trimethyl-[2-(4-nitrobenzoyl)oxyethyl]azanium chloride.
Chemical Property Profile of Choline, chloride, p-nitrobenzoate
Property Insights of Choline, chloride, p-nitrobenzoate
The XLogP value of -1.5382 indicates that Choline, chloride, p-nitrobenzoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Choline, chloride, p-nitrobenzoate. Following Lipinski's Rule of Five, Choline, chloride, p-nitrobenzoate has 0 hydrogen bond donor(s) and 5 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, p-nitrobenzoate?
The CAS number of Choline, chloride, p-nitrobenzoate is 2393-24-0.
What is the molecular formula of Choline, chloride, p-nitrobenzoate?
The molecular formula of Choline, chloride, p-nitrobenzoate is C12H17ClN2O4.
What is the molecular weight of Choline, chloride, p-nitrobenzoate?
The molecular weight of Choline, chloride, p-nitrobenzoate is 288.09 g/mol.
Where can I buy Choline, chloride, p-nitrobenzoate?
You can request a quote for Choline, chloride, p-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Choline, chloride, p-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Choline, chloride, p-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.