Phosphoric acid, diundecyl ester
TL;DR: Phosphoric acid, diundecyl ester (CAS 7598-64-3) is a chemical compound with molecular formula C22H47O4P and molecular weight 406.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diundecyl hydrogen phosphate
Also Known As: Diundecyl phosphate, diundecyl hydrogen phosphate, Undecyl phosphate, di-, 1-Undecanol, hydrogen phosphate, Phosphoric acid, diundecyl ester
| Molecular Formula | C22H47O4P |
|---|---|
| Molecular Weight | 406.32 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 22 |
| Exact Mass | 406.3212 |
| Heavy Atoms | 27 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 7598-64-3 |
|---|---|
| SMILES | CCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCC |
| InChIKey | IEMUOVBWPOMLKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphoric acid, diundecyl ester (CAS 7598-64-3), with molecular formula C22H47O4P and molecular weight 406.32 g/mol. IUPAC: diundecyl hydrogen phosphate.
Chemical Property Profile of Phosphoric acid, diundecyl ester
Property Insights of Phosphoric acid, diundecyl ester
The XLogP value of 9.1 indicates that Phosphoric acid, diundecyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Phosphoric acid, diundecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoric acid, diundecyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphoric acid, diundecyl ester?
The CAS number of Phosphoric acid, diundecyl ester is 7598-64-3.
What is the molecular formula of Phosphoric acid, diundecyl ester?
The molecular formula of Phosphoric acid, diundecyl ester is C22H47O4P.
What is the molecular weight of Phosphoric acid, diundecyl ester?
The molecular weight of Phosphoric acid, diundecyl ester is 406.32 g/mol.
Where can I buy Phosphoric acid, diundecyl ester?
You can request a quote for Phosphoric acid, diundecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoric acid, diundecyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, diundecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.