Octyldichloropropyl phosphate
TL;DR: Octyldichloropropyl phosphate (CAS 13742-09-1) is a chemical compound with molecular formula C11H23Cl2O4P and molecular weight 320.0711 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-dichloropropyl octyl hydrogen phosphate
Also Known As: Octyldichloropropyl phosphate, Octyl dichloropropyl phosphate, 3,3-dichloropropyl octyl hydrogen phosphate, Phosphoric acid, mono(dichloropropyl) monooctyl ester, Phosphoric acid,mono(dichloropropyl) monooctyl ester (9CI)
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H23Cl2O4P |
| Molecular Weight | 320.0711 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 320.0711 Da |
| Heavy Atoms | 18 |
| Complexity | 239.0 |
| SMILES | CCCCCCCCOP(=O)(O)OCCC(Cl)Cl |
| InChIKey | LEYKLJDREJGQML-UHFFFAOYSA-N |
Chemical Property Profile of Octyldichloropropyl phosphate
Property Insights of Octyldichloropropyl phosphate
The XLogP value of 4.1 indicates that Octyldichloropropyl 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, Octyldichloropropyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyldichloropropyl phosphate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Octyldichloropropyl phosphate?
The CAS number of Octyldichloropropyl phosphate is 13742-09-1.
What is the molecular formula of Octyldichloropropyl phosphate?
The molecular formula of Octyldichloropropyl phosphate is C11H23Cl2O4P.
What is the molecular weight of Octyldichloropropyl phosphate?
The molecular weight of Octyldichloropropyl phosphate is 320.0711 g/mol.
Where can I buy Octyldichloropropyl phosphate?
You can request a quote for Octyldichloropropyl phosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octyldichloropropyl phosphate?
Yes, CoreyChem provides custom synthesis services for Octyldichloropropyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.