2-Benzyl-3-(O-ethylphosphono)propionic acid
TL;DR: 2-Benzyl-3-(O-ethylphosphono)propionic acid (CAS 99762-00-2) is a chemical compound with molecular formula C12H17O5P and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-3-[ethoxy(hydroxy)phosphoryl]propanoic acid
Also Known As: 2-Beppa, 2-benzyl-3- propionicacid, 2-benzyl-3-[ethoxy(hydroxy)phosphoryl]propanoic acid, 2-Benzyl-3-(O-ethylphosphono)propionic acid, alpha-((Ethoxyhydroxyphosphinyl)methyl)benzenepropanoic acid
| Molecular Formula | C12H17O5P |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 272.08136 |
| Heavy Atoms | 18 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 99762-00-2 |
|---|---|
| SMILES | CCOP(=O)(CC(CC1=CC=CC=C1)C(=O)O)O |
| InChIKey | PSUDQMZSXZWVJS-UHFFFAOYSA-N |
Product Overview
2-Benzyl-3-(O-ethylphosphono)propionic acid (CAS 99762-00-2), with molecular formula C12H17O5P and molecular weight 272.08 g/mol. IUPAC: 2-benzyl-3-[ethoxy(hydroxy)phosphoryl]propanoic acid.
Chemical Property Profile of 2-Benzyl-3-(O-ethylphosphono)propionic acid
Property Insights of 2-Benzyl-3-(O-ethylphosphono)propionic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-3-(O-ethylphosphono)propionic acid. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzyl-3-(O-ethylphosphono)propionic acid. Following Lipinski's Rule of Five, 2-Benzyl-3-(O-ethylphosphono)propionic acid has 2 hydrogen bond donor(s) and 5 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 2-Benzyl-3-(O-ethylphosphono)propionic acid?
The CAS number of 2-Benzyl-3-(O-ethylphosphono)propionic acid is 99762-00-2.
What is the molecular formula of 2-Benzyl-3-(O-ethylphosphono)propionic acid?
The molecular formula of 2-Benzyl-3-(O-ethylphosphono)propionic acid is C12H17O5P.
What is the molecular weight of 2-Benzyl-3-(O-ethylphosphono)propionic acid?
The molecular weight of 2-Benzyl-3-(O-ethylphosphono)propionic acid is 272.08 g/mol.
Where can I buy 2-Benzyl-3-(O-ethylphosphono)propionic acid?
You can request a quote for 2-Benzyl-3-(O-ethylphosphono)propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-3-(O-ethylphosphono)propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-3-(O-ethylphosphono)propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.