Acetic acid, phosphono-, 1-octyl ester
TL;DR: Acetic acid, phosphono-, 1-octyl ester (CAS 62591-73-5) is a chemical compound with molecular formula C10H21O5P and molecular weight 252.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-octoxy-2-oxoethyl)phosphonic acid
Also Known As: 1-Octyl phosphonoacetate, octylphosphonoacetate, Acetic acid, phosphono-, 1-octyl ester, [2-(octyloxy)-2-oxoethyl]phosphonic acid, (2-octoxy-2-oxoethyl)phosphonic acid
| Molecular Formula | C10H21O5P |
|---|---|
| Molecular Weight | 252.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 252.11266 |
| Heavy Atoms | 16 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 62591-73-5 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CP(=O)(O)O |
| InChIKey | GSWLMKIHGUBTJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, phosphono-, 1-octyl ester (CAS 62591-73-5), with molecular formula C10H21O5P and molecular weight 252.11 g/mol. IUPAC: (2-octoxy-2-oxoethyl)phosphonic acid.
Chemical Property Profile of Acetic acid, phosphono-, 1-octyl ester
Property Insights of Acetic acid, phosphono-, 1-octyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, phosphono-, 1-octyl ester. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, phosphono-, 1-octyl ester. Following Lipinski's Rule of Five, Acetic acid, phosphono-, 1-octyl 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-octyl ester?
The CAS number of Acetic acid, phosphono-, 1-octyl ester is 62591-73-5.
What is the molecular formula of Acetic acid, phosphono-, 1-octyl ester?
The molecular formula of Acetic acid, phosphono-, 1-octyl ester is C10H21O5P.
What is the molecular weight of Acetic acid, phosphono-, 1-octyl ester?
The molecular weight of Acetic acid, phosphono-, 1-octyl ester is 252.11 g/mol.
Where can I buy Acetic acid, phosphono-, 1-octyl ester?
You can request a quote for Acetic acid, phosphono-, 1-octyl 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-octyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, phosphono-, 1-octyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.