氯化胆碱O-(磷酸二钠)
TL;DR: 氯化胆碱O-(磷酸二钠) (CAS 16904-96-4) is a chemical compound with molecular formula C5H13ClNNa2O4P and molecular weight 263.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯化胆碱O-(磷酸二钠)
disodium;2-(trimethylazaniumyl)ethyl phosphate;chloride
Also Known As: chloride, Disodium, Phosphocholine Chloride Sodium Salt, Phosphocholine chloride sodium salt hydrate, Choline chloride O-(disodium phosphate)
| Molecular Formula | C5H13ClNNa2O4P |
|---|---|
| Molecular Weight | 263.01 g/mol |
| LogP | -10.45 |
| Topological Polar Surface Area | 72.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.00662 |
| Heavy Atoms | 14 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 16904-96-4 |
|---|---|
| SMILES | C[N+](C)(C)CCOP(=O)([O-])[O-].[Na+].[Na+].[Cl-] |
| InChIKey | HMCRHROSIPYRGL-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯化胆碱O-(磷酸二钠) (CAS 16904-96-4), with molecular formula C5H13ClNNa2O4P and molecular weight 263.01 g/mol. IUPAC: disodium;2-(trimethylazaniumyl)ethyl phosphate;chloride.
Chemical Property Profile of 氯化胆碱O-(磷酸二钠)
Property Insights of 氯化胆碱O-(磷酸二钠)
The XLogP value of -10.45 indicates that 氯化胆碱O-(磷酸二钠) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 氯化胆碱O-(磷酸二钠). Following Lipinski's Rule of Five, 氯化胆碱O-(磷酸二钠) 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 氯化胆碱O-(磷酸二钠)?
The CAS number of 氯化胆碱O-(磷酸二钠) is 16904-96-4.
What is the molecular formula of 氯化胆碱O-(磷酸二钠)?
The molecular formula of 氯化胆碱O-(磷酸二钠) is C5H13ClNNa2O4P.
What is the molecular weight of 氯化胆碱O-(磷酸二钠)?
The molecular weight of 氯化胆碱O-(磷酸二钠) is 263.01 g/mol.
Where can I buy 氯化胆碱O-(磷酸二钠)?
You can request a quote for 氯化胆碱O-(磷酸二钠) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯化胆碱O-(磷酸二钠)?
Yes, KEHONG BIO provides custom synthesis services for 氯化胆碱O-(磷酸二钠) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.