胞磷膽鹼
TL;DR: 胞磷膽鹼 (CAS 987-78-0) is a chemical compound with molecular formula C14H26N4O11P2 and molecular weight 488.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
胞磷膽鹼
[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: citicoline, CDP-choline, cytidine 5'-diphosphocholine, citicholine, Citidoline
| Molecular Formula | C14H26N4O11P2 |
|---|---|
| Molecular Weight | 488.11 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 488.10733 |
| Heavy Atoms | 31 |
| Complexity | 821.0 |
Chemical Identifiers
| CAS Number | 987-78-0 |
|---|---|
| SMILES | C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O |
| InChIKey | RZZPDXZPRHQOCG-OJAKKHQRSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
胞磷膽鹼 (CAS 987-78-0), with molecular formula C14H26N4O11P2 and molecular weight 488.11 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of 胞磷膽鹼
Property Insights of 胞磷膽鹼
The XLogP value of -4.0 indicates that 胞磷膽鹼 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 214.0 Ų indicates high polarity, suggesting 胞磷膽鹼 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 胞磷膽鹼 has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 胞磷膽鹼?
The CAS number of 胞磷膽鹼 is 987-78-0.
What is the molecular formula of 胞磷膽鹼?
The molecular formula of 胞磷膽鹼 is C14H26N4O11P2.
What is the molecular weight of 胞磷膽鹼?
The molecular weight of 胞磷膽鹼 is 488.11 g/mol.
Where can I buy 胞磷膽鹼?
You can request a quote for 胞磷膽鹼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 胞磷膽鹼?
Yes, KEHONG BIO provides custom synthesis services for 胞磷膽鹼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.