N-((2-(Triphenylphosphoranyl)ethoxy)carbonyl)alanine
TL;DR: N-((2-(Triphenylphosphoranyl)ethoxy)carbonyl)alanine (CAS 61083-75-8) is a chemical compound with molecular formula C24H25NO4P+ and molecular weight 422.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-carboxyethylcarbamoyloxy)ethyl-triphenylphosphanium
Also Known As: Phosphonium, chloride, N-((2-(Triphenylphosphoranyl)ethoxy)carbonyl)alanine, N-{[2-(Triphenylphosphaniumyl)ethoxy]carbonyl}alanine, Phosphonium, {[2-[[[(1-carboxyethyl)amino]carbonyl]oxy]ethyl]triphenyl-,} chloride, 2-[(1-hydroxy-1-oxopropan-2-yl)carbamoyloxy]ethyl-triphenylphosphanium
| Molecular Formula | C24H25NO4P+ |
|---|---|
| Molecular Weight | 422.15 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 422.15213 |
| Heavy Atoms | 30 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 61083-75-8 |
|---|---|
| SMILES | CC(C(=O)O)NC(=O)OCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | OZOHAHXTDZMUKB-UHFFFAOYSA-O |
Product Overview
N-((2-(Triphenylphosphoranyl)ethoxy)carbonyl)alanine (CAS 61083-75-8), with molecular formula C24H25NO4P+ and molecular weight 422.15 g/mol. IUPAC: 2-(1-carboxyethylcarbamoyloxy)ethyl-triphenylphosphanium.
Chemical Property Profile of N-((2-(Triphenylphosphoranyl)ethoxy)carbonyl)alanine
Property Insights of N-((2-(Triphenylphosphoranyl)ethoxy)carbonyl)alanine
The XLogP value of 4.3 indicates that N-((2-(Triphenylphosphoranyl)ethoxy)carbonyl)alanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((2-(Triphenylphosphoranyl)ethoxy)carbonyl)alanine. Following Lipinski's Rule of Five, N-((2-(Triphenylphosphoranyl)ethoxy)carbonyl)alanine has 2 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 N-((2-(Triphenylphosphoranyl)ethoxy)carbonyl)alanine?
The CAS number of N-((2-(Triphenylphosphoranyl)ethoxy)carbonyl)alanine is 61083-75-8.
What is the molecular formula of N-((2-(Triphenylphosphoranyl)ethoxy)carbonyl)alanine?
The molecular formula of N-((2-(Triphenylphosphoranyl)ethoxy)carbonyl)alanine is C24H25NO4P+.
What is the molecular weight of N-((2-(Triphenylphosphoranyl)ethoxy)carbonyl)alanine?
The molecular weight of N-((2-(Triphenylphosphoranyl)ethoxy)carbonyl)alanine is 422.15 g/mol.
Where can I buy N-((2-(Triphenylphosphoranyl)ethoxy)carbonyl)alanine?
You can request a quote for N-((2-(Triphenylphosphoranyl)ethoxy)carbonyl)alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((2-(Triphenylphosphoranyl)ethoxy)carbonyl)alanine?
Yes, KEHONG BIO provides custom synthesis services for N-((2-(Triphenylphosphoranyl)ethoxy)carbonyl)alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.