Bis(2,4,5-trichlorophenyl) oxalate
TL;DR: Bis(2,4,5-trichlorophenyl) oxalate (CAS 1166-36-5) is a chemical compound with molecular formula C14H4Cl6O4 and molecular weight 445.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2,4,5-trichlorophenyl) oxalate
Also Known As: Bis(2,4,5-trichlorophenyl) Oxalate, bis-(3,4,6-trichlorophenyl)-oxalate, J1.397.881F, Oxalic acid bis(2,4,5-trichlorophenyl) ester, 660-358-4
| Molecular Formula | C14H4Cl6O4 |
|---|---|
| Molecular Weight | 445.82 g/mol |
| LogP | 6.118 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 445.82407 |
| Heavy Atoms | 24 |
| Complexity | 766.99976 |
Chemical Identifiers
| CAS Number | 1166-36-5 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)Cl)Cl)OC(=O)C(=O)OC2=CC(=C(C=C2Cl)Cl)Cl |
Product Overview
Bis(2,4,5-trichlorophenyl) oxalate (CAS 1166-36-5), with molecular formula C14H4Cl6O4 and molecular weight 445.82 g/mol. IUPAC: bis(2,4,5-trichlorophenyl) oxalate.
Chemical Property Profile of Bis(2,4,5-trichlorophenyl) oxalate
Property Insights of Bis(2,4,5-trichlorophenyl) oxalate
The XLogP value of 6.118 indicates that Bis(2,4,5-trichlorophenyl) oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Bis(2,4,5-trichlorophenyl) oxalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2,4,5-trichlorophenyl) oxalate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(2,4,5-trichlorophenyl) oxalate?
The CAS number of Bis(2,4,5-trichlorophenyl) oxalate is 1166-36-5.
What is the molecular formula of Bis(2,4,5-trichlorophenyl) oxalate?
The molecular formula of Bis(2,4,5-trichlorophenyl) oxalate is C14H4Cl6O4.
What is the molecular weight of Bis(2,4,5-trichlorophenyl) oxalate?
The molecular weight of Bis(2,4,5-trichlorophenyl) oxalate is 445.82 g/mol.
Where can I buy Bis(2,4,5-trichlorophenyl) oxalate?
You can request a quote for Bis(2,4,5-trichlorophenyl) oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2,4,5-trichlorophenyl) oxalate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2,4,5-trichlorophenyl) oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.