Phosphonic acid, methyl-, bis(2,4,5-trichlorophenyl) ester
TL;DR: Phosphonic acid, methyl-, bis(2,4,5-trichlorophenyl) ester (CAS 88847-67-0) is a chemical compound with molecular formula C13H7Cl6O3P and molecular weight 451.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-trichloro-5-[methyl-(2,4,5-trichlorophenoxy)phosphoryl]oxybenzene
Also Known As: O,O-Bis(2,4,5-trichlorophenyl) methylphosphonate, bis(2,4,5-trichlorophenyl) methylphosphonate, Phosphonic acid, methyl-, bis(2,4,5-trichlorophenyl) ester, Methylphosphonic acid di(2,4,5-trichlorophenyl) ester, 1,2,4-trichloro-5-[methyl-(2,4,5-trichlorophenoxy)phosphoryl]oxybenzene
| Molecular Formula | C13H7Cl6O3P |
|---|---|
| Molecular Weight | 451.83 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.82346 |
| Heavy Atoms | 23 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 88847-67-0 |
|---|---|
| SMILES | CP(=O)(OC1=CC(=C(C=C1Cl)Cl)Cl)OC2=CC(=C(C=C2Cl)Cl)Cl |
| InChIKey | MIGVAKXWEHXARP-UHFFFAOYSA-N |
Product Overview
Phosphonic acid, methyl-, bis(2,4,5-trichlorophenyl) ester (CAS 88847-67-0), with molecular formula C13H7Cl6O3P and molecular weight 451.83 g/mol. IUPAC: 1,2,4-trichloro-5-[methyl-(2,4,5-trichlorophenoxy)phosphoryl]oxybenzene.
Chemical Property Profile of Phosphonic acid, methyl-, bis(2,4,5-trichlorophenyl) ester
Property Insights of Phosphonic acid, methyl-, bis(2,4,5-trichlorophenyl) ester
The XLogP value of 6.9 indicates that Phosphonic acid, methyl-, bis(2,4,5-trichlorophenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Phosphonic acid, methyl-, bis(2,4,5-trichlorophenyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, methyl-, bis(2,4,5-trichlorophenyl) ester 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 Phosphonic acid, methyl-, bis(2,4,5-trichlorophenyl) ester?
The CAS number of Phosphonic acid, methyl-, bis(2,4,5-trichlorophenyl) ester is 88847-67-0.
What is the molecular formula of Phosphonic acid, methyl-, bis(2,4,5-trichlorophenyl) ester?
The molecular formula of Phosphonic acid, methyl-, bis(2,4,5-trichlorophenyl) ester is C13H7Cl6O3P.
What is the molecular weight of Phosphonic acid, methyl-, bis(2,4,5-trichlorophenyl) ester?
The molecular weight of Phosphonic acid, methyl-, bis(2,4,5-trichlorophenyl) ester is 451.83 g/mol.
Where can I buy Phosphonic acid, methyl-, bis(2,4,5-trichlorophenyl) ester?
You can request a quote for Phosphonic acid, methyl-, bis(2,4,5-trichlorophenyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, methyl-, bis(2,4,5-trichlorophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, methyl-, bis(2,4,5-trichlorophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.