Acetic acid, phosphono-, 1-propyl ester
TL;DR: Acetic acid, phosphono-, 1-propyl ester (CAS 62591-72-4) is a chemical compound with molecular formula C5H11O5P and molecular weight 182.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxo-2-propoxyethyl)phosphonic acid
Also Known As: 1-Propyl phosphonoacetate, Acetic acid, phosphono-, 1-propyl ester, Acetic acid, phosphono-, propyl ester, (2-oxo-2-propoxyethyl)phosphonic acid, (2-oxo-2-propoxy-ethyl)phosphonic acid
| Molecular Formula | C5H11O5P |
|---|---|
| Molecular Weight | 182.03 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 182.03441 |
| Heavy Atoms | 11 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 62591-72-4 |
|---|---|
| SMILES | CCCOC(=O)CP(=O)(O)O |
| InChIKey | IJDMZPXMWIFWON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, phosphono-, 1-propyl ester (CAS 62591-72-4), with molecular formula C5H11O5P and molecular weight 182.03 g/mol. IUPAC: (2-oxo-2-propoxyethyl)phosphonic acid.
Chemical Property Profile of Acetic acid, phosphono-, 1-propyl ester
Property Insights of Acetic acid, phosphono-, 1-propyl ester
The XLogP value of -0.8 indicates that Acetic acid, phosphono-, 1-propyl ester 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 Acetic acid, phosphono-, 1-propyl ester. Following Lipinski's Rule of Five, Acetic acid, phosphono-, 1-propyl ester 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 Acetic acid, phosphono-, 1-propyl ester?
The CAS number of Acetic acid, phosphono-, 1-propyl ester is 62591-72-4.
What is the molecular formula of Acetic acid, phosphono-, 1-propyl ester?
The molecular formula of Acetic acid, phosphono-, 1-propyl ester is C5H11O5P.
What is the molecular weight of Acetic acid, phosphono-, 1-propyl ester?
The molecular weight of Acetic acid, phosphono-, 1-propyl ester is 182.03 g/mol.
Where can I buy Acetic acid, phosphono-, 1-propyl ester?
You can request a quote for Acetic acid, phosphono-, 1-propyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, phosphono-, 1-propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, phosphono-, 1-propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.