膦乙酸1-(苯甲基)酯
TL;DR: 膦乙酸1-(苯甲基)酯 (CAS 77530-34-8) is a chemical compound with molecular formula C9H11O5P and molecular weight 230.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
膦乙酸1-(苯甲基)酯
(2-oxo-2-phenylmethoxyethyl)phosphonic acid
Also Known As: Benzyl phosphonoacetate, (2-oxo-2-phenylmethoxyethyl)phosphonic acid, Acetic acid, phosphono-, phenylmethyl ester, Acetic acid, phosphono-, 1-(phenylmethyl) ester, (2-benzyloxy-2-oxo-ethyl)phosphonic acid
| Molecular Formula | C9H11O5P |
|---|---|
| Molecular Weight | 230.03 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 230.03441 |
| Heavy Atoms | 15 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 77530-34-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CP(=O)(O)O |
| InChIKey | UOUMHOPNKUNGAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
膦乙酸1-(苯甲基)酯 (CAS 77530-34-8), with molecular formula C9H11O5P and molecular weight 230.03 g/mol. IUPAC: (2-oxo-2-phenylmethoxyethyl)phosphonic acid.
Chemical Property Profile of 膦乙酸1-(苯甲基)酯
Property Insights of 膦乙酸1-(苯甲基)酯
The XLogP value of -0.2 indicates that 膦乙酸1-(苯甲基)酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 膦乙酸1-(苯甲基)酯. Following Lipinski's Rule of Five, 膦乙酸1-(苯甲基)酯 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 膦乙酸1-(苯甲基)酯?
The CAS number of 膦乙酸1-(苯甲基)酯 is 77530-34-8.
What is the molecular formula of 膦乙酸1-(苯甲基)酯?
The molecular formula of 膦乙酸1-(苯甲基)酯 is C9H11O5P.
What is the molecular weight of 膦乙酸1-(苯甲基)酯?
The molecular weight of 膦乙酸1-(苯甲基)酯 is 230.03 g/mol.
Where can I buy 膦乙酸1-(苯甲基)酯?
You can request a quote for 膦乙酸1-(苯甲基)酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 膦乙酸1-(苯甲基)酯?
Yes, KEHONG BIO provides custom synthesis services for 膦乙酸1-(苯甲基)酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.