Di-n-octyl phosphate
TL;DR: Di-n-octyl phosphate (CAS 3115-39-7) is a chemical compound with molecular formula C16H35O4P and molecular weight 322.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dioctyl hydrogen phosphate
Also Known As: Dioctyl phosphate, Dioctyl hydrogen phosphate, Dioctylorthophosphate, Phosphoric acid, dioctyl ester, Phosphoric Acid Dioctyl Ester
| Molecular Formula | C16H35O4P |
|---|---|
| Molecular Weight | 322.23 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 322.2273 |
| Heavy Atoms | 21 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 3115-39-7 |
|---|---|
| SMILES | CCCCCCCCOP(=O)(O)OCCCCCCCC |
| InChIKey | HTDKEJXHILZNPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Di-n-octyl phosphate (CAS 3115-39-7), with molecular formula C16H35O4P and molecular weight 322.23 g/mol. IUPAC: dioctyl hydrogen phosphate.
Chemical Property Profile of Di-n-octyl phosphate
Property Insights of Di-n-octyl phosphate
The XLogP value of 5.8 indicates that Di-n-octyl phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Di-n-octyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Di-n-octyl phosphate 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 Di-n-octyl phosphate?
The CAS number of Di-n-octyl phosphate is 3115-39-7.
What is the molecular formula of Di-n-octyl phosphate?
The molecular formula of Di-n-octyl phosphate is C16H35O4P.
What is the molecular weight of Di-n-octyl phosphate?
The molecular weight of Di-n-octyl phosphate is 322.23 g/mol.
Where can I buy Di-n-octyl phosphate?
You can request a quote for Di-n-octyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-n-octyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Di-n-octyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.