Phosphorylhomocholine
TL;DR: Phosphorylhomocholine (CAS 57369-92-3) is a chemical compound with molecular formula C6H16NO4P and molecular weight 197.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(trimethylazaniumyl)propyl hydrogen phosphate
Also Known As: Phosphorylhomocholine, 3-(trimethylammonio)propyl hydrogen phosphate, 3-(trimethylazaniumyl)propyl hydrogen phosphate, 1-Propanaminium, N,N,N-trimethyl-3-(phosphonooxy)-, hydroxide, inner salt, 1-Propanaminium,N,N,N-trimethyl-3-(phosphonooxy)-, inner salt
| Molecular Formula | C6H16NO4P |
|---|---|
| Molecular Weight | 197.08 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 197.0817 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 57369-92-3 |
|---|---|
| SMILES | C[N+](C)(C)CCCOP(=O)(O)[O-] |
| InChIKey | QAOGRXNRTKIVKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphorylhomocholine (CAS 57369-92-3), with molecular formula C6H16NO4P and molecular weight 197.08 g/mol. IUPAC: 3-(trimethylazaniumyl)propyl hydrogen phosphate.
Chemical Property Profile of Phosphorylhomocholine
Property Insights of Phosphorylhomocholine
The XLogP value of -1.2 indicates that Phosphorylhomocholine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorylhomocholine. Following Lipinski's Rule of Five, Phosphorylhomocholine has 1 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 Phosphorylhomocholine?
The CAS number of Phosphorylhomocholine is 57369-92-3.
What is the molecular formula of Phosphorylhomocholine?
The molecular formula of Phosphorylhomocholine is C6H16NO4P.
What is the molecular weight of Phosphorylhomocholine?
The molecular weight of Phosphorylhomocholine is 197.08 g/mol.
Where can I buy Phosphorylhomocholine?
You can request a quote for Phosphorylhomocholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorylhomocholine?
Yes, KEHONG BIO provides custom synthesis services for Phosphorylhomocholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.