Choline dihydrogen citrate
TL;DR: Choline dihydrogen citrate (CAS 77-91-8) is a chemical compound with molecular formula C11H21NO8 and molecular weight 295.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;2-hydroxyethyl(trimethyl)azanium
Also Known As: Choline dihydrogen citrate, Cirrocolina, Citracholin, Citracholine, Citrocholine
| Molecular Formula | C11H21NO8 |
|---|---|
| Molecular Weight | 295.13 g/mol |
| LogP | -2.9 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.1267 |
| Heavy Atoms | 20 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 77-91-8 |
|---|---|
| SMILES | C[N+](C)(C)CCO.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O |
| InChIKey | WRPUOFKIGGWQIJ-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Choline dihydrogen citrate (CAS 77-91-8), with molecular formula C11H21NO8 and molecular weight 295.13 g/mol. IUPAC: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;2-hydroxyethyl(trimethyl)azanium.
Chemical Property Profile of Choline dihydrogen citrate
Property Insights of Choline dihydrogen citrate
The XLogP value of -2.9 indicates that Choline dihydrogen citrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.0 Ų indicates high polarity, suggesting Choline dihydrogen citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Choline dihydrogen citrate has 4 hydrogen bond donor(s) and 8 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 dihydrogen citrate?
The CAS number of Choline dihydrogen citrate is 77-91-8.
What is the molecular formula of Choline dihydrogen citrate?
The molecular formula of Choline dihydrogen citrate is C11H21NO8.
What is the molecular weight of Choline dihydrogen citrate?
The molecular weight of Choline dihydrogen citrate is 295.13 g/mol.
Where can I buy Choline dihydrogen citrate?
You can request a quote for Choline dihydrogen citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Choline dihydrogen citrate?
Yes, KEHONG BIO provides custom synthesis services for Choline dihydrogen citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.