Octylphosphonic dichloride
TL;DR: Octylphosphonic dichloride (CAS 3095-94-1) is a chemical compound with molecular formula C8H17Cl2OP and molecular weight 230.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-dichlorophosphoryloctane
Also Known As: Octylphosphonic dichloride, 1-OCTYLPHOSPHONIC DICHLORIDE, 1-dichlorophosphoryloctane, octylphosphonoyl dichloride, Phosphonic dichloride, P-octyl-
| Molecular Formula | C8H17Cl2OP |
|---|---|
| Molecular Weight | 230.04 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 230.03941 |
| Heavy Atoms | 12 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 3095-94-1 |
|---|---|
| SMILES | CCCCCCCCP(=O)(Cl)Cl |
| InChIKey | RTHCRCDXILKTCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octylphosphonic dichloride (CAS 3095-94-1), with molecular formula C8H17Cl2OP and molecular weight 230.04 g/mol. IUPAC: 1-dichlorophosphoryloctane.
Chemical Property Profile of Octylphosphonic dichloride
Property Insights of Octylphosphonic dichloride
The XLogP value of 4.4 indicates that Octylphosphonic dichloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Octylphosphonic dichloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octylphosphonic dichloride has 0 hydrogen bond donor(s) and 1 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 Octylphosphonic dichloride?
The CAS number of Octylphosphonic dichloride is 3095-94-1.
What is the molecular formula of Octylphosphonic dichloride?
The molecular formula of Octylphosphonic dichloride is C8H17Cl2OP.
What is the molecular weight of Octylphosphonic dichloride?
The molecular weight of Octylphosphonic dichloride is 230.04 g/mol.
Where can I buy Octylphosphonic dichloride?
You can request a quote for Octylphosphonic dichloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octylphosphonic dichloride?
Yes, KEHONG BIO provides custom synthesis services for Octylphosphonic dichloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.