Phenylethanephosphonic acid
TL;DR: Phenylethanephosphonic acid (CAS 4672-30-4) is a chemical compound with molecular formula C8H11O3P and molecular weight 186.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethylphosphonic acid
Also Known As: phenethylphosphonic acid, (2-Phenylethyl)phosphonic acid, 2-phenylethylphosphonic acid, Phenethyl-phosphonic acid, 2-Phenethyl-phosphonic acid
| Molecular Formula | C8H11O3P |
|---|---|
| Molecular Weight | 186.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.04459 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 4672-30-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCP(=O)(O)O |
| InChIKey | BFDYSJCMAFSRDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylethanephosphonic acid (CAS 4672-30-4), with molecular formula C8H11O3P and molecular weight 186.04 g/mol. IUPAC: 2-phenylethylphosphonic acid.
Chemical Property Profile of Phenylethanephosphonic acid
Property Insights of Phenylethanephosphonic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylethanephosphonic acid. With a topological polar surface area (TPSA) of 57.5 Ų, Phenylethanephosphonic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylethanephosphonic acid has 2 hydrogen bond donor(s) and 3 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 Phenylethanephosphonic acid?
The CAS number of Phenylethanephosphonic acid is 4672-30-4.
What is the molecular formula of Phenylethanephosphonic acid?
The molecular formula of Phenylethanephosphonic acid is C8H11O3P.
What is the molecular weight of Phenylethanephosphonic acid?
The molecular weight of Phenylethanephosphonic acid is 186.04 g/mol.
Where can I buy Phenylethanephosphonic acid?
You can request a quote for Phenylethanephosphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylethanephosphonic acid?
Yes, KEHONG BIO provides custom synthesis services for Phenylethanephosphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.