Bis(5,5,5-trichloropentyl) methylphosphonate
TL;DR: Bis(5,5,5-trichloropentyl) methylphosphonate (CAS 690-88-0) is a chemical compound with molecular formula C11H19Cl6O3P and molecular weight 439.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trichloro-5-[methyl(5,5,5-trichloropentoxy)phosphoryl]oxypentane
Also Known As: bis(5,5,5-trichloropentyl) methylphosphonate, Methylphosphonic acid bis(5,5,5-trichloropentyl) ester, Phosphonic acid, methyl-, bis(5,5,5-trichloropentyl) ester, 1,1,1-trichloro-5-[methyl(5,5,5-trichloropentoxy)phosphoryl]oxypentane, RefChem:1079958
| Molecular Formula | C11H19Cl6O3P |
|---|---|
| Molecular Weight | 439.92 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 441.91736 |
| Heavy Atoms | 21 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 690-88-0 |
|---|---|
| SMILES | CP(=O)(OCCCCC(Cl)(Cl)Cl)OCCCCC(Cl)(Cl)Cl |
| InChIKey | AFQNWMVQYHPDBO-UHFFFAOYSA-N |
Product Overview
Bis(5,5,5-trichloropentyl) methylphosphonate (CAS 690-88-0), with molecular formula C11H19Cl6O3P and molecular weight 439.92 g/mol. IUPAC: 1,1,1-trichloro-5-[methyl(5,5,5-trichloropentoxy)phosphoryl]oxypentane.
Chemical Property Profile of Bis(5,5,5-trichloropentyl) methylphosphonate
Property Insights of Bis(5,5,5-trichloropentyl) methylphosphonate
The XLogP value of 5.3 indicates that Bis(5,5,5-trichloropentyl) methylphosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Bis(5,5,5-trichloropentyl) methylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(5,5,5-trichloropentyl) methylphosphonate 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 Bis(5,5,5-trichloropentyl) methylphosphonate?
The CAS number of Bis(5,5,5-trichloropentyl) methylphosphonate is 690-88-0.
What is the molecular formula of Bis(5,5,5-trichloropentyl) methylphosphonate?
The molecular formula of Bis(5,5,5-trichloropentyl) methylphosphonate is C11H19Cl6O3P.
What is the molecular weight of Bis(5,5,5-trichloropentyl) methylphosphonate?
The molecular weight of Bis(5,5,5-trichloropentyl) methylphosphonate is 439.92 g/mol.
Where can I buy Bis(5,5,5-trichloropentyl) methylphosphonate?
You can request a quote for Bis(5,5,5-trichloropentyl) methylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(5,5,5-trichloropentyl) methylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Bis(5,5,5-trichloropentyl) methylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.