3-(Triphenylphosphoranyl)propanoic acid
TL;DR: 3-(Triphenylphosphoranyl)propanoic acid (CAS 51114-94-4) is a chemical compound with molecular formula C21H20O2P+ and molecular weight 335.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-carboxyethyl(triphenyl)phosphanium
Also Known As: NCIStruc1_001378, NCIStruc2_001641, carboxyethyl triphenylphosphorane, 2-carboxyethyl(triphenyl)phosphonium, 3-(Triphenylphosphoranyl)propanoic acid
| Molecular Formula | C21H20O2P+ |
|---|---|
| Molecular Weight | 335.12 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.1201 |
| Heavy Atoms | 24 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 51114-94-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)[P+](CCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | FLYPZWDELZKIOY-UHFFFAOYSA-O |
Product Overview
3-(Triphenylphosphoranyl)propanoic acid (CAS 51114-94-4), with molecular formula C21H20O2P+ and molecular weight 335.12 g/mol. IUPAC: 2-carboxyethyl(triphenyl)phosphanium.
Chemical Property Profile of 3-(Triphenylphosphoranyl)propanoic acid
Property Insights of 3-(Triphenylphosphoranyl)propanoic acid
The XLogP value of 4.1 indicates that 3-(Triphenylphosphoranyl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(Triphenylphosphoranyl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Triphenylphosphoranyl)propanoic acid has 1 hydrogen bond donor(s) and 2 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 3-(Triphenylphosphoranyl)propanoic acid?
The CAS number of 3-(Triphenylphosphoranyl)propanoic acid is 51114-94-4.
What is the molecular formula of 3-(Triphenylphosphoranyl)propanoic acid?
The molecular formula of 3-(Triphenylphosphoranyl)propanoic acid is C21H20O2P+.
What is the molecular weight of 3-(Triphenylphosphoranyl)propanoic acid?
The molecular weight of 3-(Triphenylphosphoranyl)propanoic acid is 335.12 g/mol.
Where can I buy 3-(Triphenylphosphoranyl)propanoic acid?
You can request a quote for 3-(Triphenylphosphoranyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Triphenylphosphoranyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Triphenylphosphoranyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.