Phosphonic acid, diisooctyl ester
TL;DR: Phosphonic acid, diisooctyl ester (CAS 36116-84-4) is a chemical compound with molecular formula C16H34O3P+ and molecular weight 305.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(6-methylheptoxy)-oxophosphanium
Also Known As: Diisooctyl phosphonate, Diisooctyl phosphite, Di-isooctyl phosphite, Phosphonic acid, diisooctyl ester, EINECS 252-873-4
| Molecular Formula | C16H34O3P+ |
|---|---|
| Molecular Weight | 305.22 g/mol |
| LogP | 6.1098 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 305.22455 |
| Heavy Atoms | 20 |
| Complexity | 207.76187 |
Chemical Identifiers
| CAS Number | 36116-84-4 |
|---|---|
| SMILES | CC(C)CCCCCO[P+](=O)OCCCCCC(C)C |
Product Overview
Phosphonic acid, diisooctyl ester (CAS 36116-84-4), with molecular formula C16H34O3P+ and molecular weight 305.22 g/mol. IUPAC: bis(6-methylheptoxy)-oxophosphanium.
Chemical Property Profile of Phosphonic acid, diisooctyl ester
Property Insights of Phosphonic acid, diisooctyl ester
The XLogP value of 6.1098 indicates that Phosphonic acid, diisooctyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Phosphonic acid, diisooctyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, diisooctyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphonic acid, diisooctyl ester?
The CAS number of Phosphonic acid, diisooctyl ester is 36116-84-4.
What is the molecular formula of Phosphonic acid, diisooctyl ester?
The molecular formula of Phosphonic acid, diisooctyl ester is C16H34O3P+.
What is the molecular weight of Phosphonic acid, diisooctyl ester?
The molecular weight of Phosphonic acid, diisooctyl ester is 305.22 g/mol.
Where can I buy Phosphonic acid, diisooctyl ester?
You can request a quote for Phosphonic acid, diisooctyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, diisooctyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, diisooctyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.