Dibutyl P-octylphosphonate
TL;DR: Dibutyl P-octylphosphonate (CAS 5929-67-9) is a chemical compound with molecular formula C16H35O3P and molecular weight 306.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-dibutoxyphosphoryloctane
Also Known As: Dibutyl octylphosphonate, Dibutyl octanephosphonate, 1-dibutoxyphosphoryloctane, Octylphosphonic acid dibutyl ester, Dibutyl P-octylphosphonate
| Molecular Formula | C16H35O3P |
|---|---|
| Molecular Weight | 306.23 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 306.2324 |
| Heavy Atoms | 20 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 5929-67-9 |
|---|---|
| SMILES | CCCCCCCCP(=O)(OCCCC)OCCCC |
| InChIKey | AKYZQUHZKDCACI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibutyl P-octylphosphonate (CAS 5929-67-9), with molecular formula C16H35O3P and molecular weight 306.23 g/mol. IUPAC: 1-dibutoxyphosphoryloctane.
Chemical Property Profile of Dibutyl P-octylphosphonate
Property Insights of Dibutyl P-octylphosphonate
The XLogP value of 5.4 indicates that Dibutyl P-octylphosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Dibutyl P-octylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibutyl P-octylphosphonate 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 Dibutyl P-octylphosphonate?
The CAS number of Dibutyl P-octylphosphonate is 5929-67-9.
What is the molecular formula of Dibutyl P-octylphosphonate?
The molecular formula of Dibutyl P-octylphosphonate is C16H35O3P.
What is the molecular weight of Dibutyl P-octylphosphonate?
The molecular weight of Dibutyl P-octylphosphonate is 306.23 g/mol.
Where can I buy Dibutyl P-octylphosphonate?
You can request a quote for Dibutyl P-octylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutyl P-octylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dibutyl P-octylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.