1H-Indol-3-yl (2-(trimethylammonio)ethyl) phosphate
TL;DR: 1H-Indol-3-yl (2-(trimethylammonio)ethyl) phosphate (CAS 439809-44-6) is a chemical compound with molecular formula C13H19N2O4P and molecular weight 298.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-indol-3-yl 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: Y-phos-choline, 3-INDOXYL CHOLINE PHOSPHATE, Y-CP, Y(TM)-CP, 1H-Indol-3-yl (2-(trimethylammonio)ethyl) phosphate
| Molecular Formula | C13H19N2O4P |
|---|---|
| Molecular Weight | 298.11 g/mol |
| LogP | 1.7379 |
| Topological Polar Surface Area | 74.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.10825 |
| Heavy Atoms | 20 |
| Complexity | 632.578 |
Chemical Identifiers
| CAS Number | 439809-44-6 |
|---|---|
| SMILES | C[N+](C)(C)CCOP(=O)([O-])OC1=CNC2=CC=CC=C21 |
Product Overview
1H-Indol-3-yl (2-(trimethylammonio)ethyl) phosphate (CAS 439809-44-6), with molecular formula C13H19N2O4P and molecular weight 298.11 g/mol. IUPAC: 1H-indol-3-yl 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of 1H-Indol-3-yl (2-(trimethylammonio)ethyl) phosphate
Property Insights of 1H-Indol-3-yl (2-(trimethylammonio)ethyl) phosphate
The XLogP value of 1.7379 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indol-3-yl (2-(trimethylammonio)ethyl) phosphate. The TPSA of 74.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indol-3-yl (2-(trimethylammonio)ethyl) phosphate. Following Lipinski's Rule of Five, 1H-Indol-3-yl (2-(trimethylammonio)ethyl) phosphate 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 1H-Indol-3-yl (2-(trimethylammonio)ethyl) phosphate?
The CAS number of 1H-Indol-3-yl (2-(trimethylammonio)ethyl) phosphate is 439809-44-6.
What is the molecular formula of 1H-Indol-3-yl (2-(trimethylammonio)ethyl) phosphate?
The molecular formula of 1H-Indol-3-yl (2-(trimethylammonio)ethyl) phosphate is C13H19N2O4P.
What is the molecular weight of 1H-Indol-3-yl (2-(trimethylammonio)ethyl) phosphate?
The molecular weight of 1H-Indol-3-yl (2-(trimethylammonio)ethyl) phosphate is 298.11 g/mol.
Where can I buy 1H-Indol-3-yl (2-(trimethylammonio)ethyl) phosphate?
You can request a quote for 1H-Indol-3-yl (2-(trimethylammonio)ethyl) phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indol-3-yl (2-(trimethylammonio)ethyl) phosphate?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indol-3-yl (2-(trimethylammonio)ethyl) phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.