Bis(2,4,6-trichlorophenyl) benzylpropanedioate
TL;DR: Bis(2,4,6-trichlorophenyl) benzylpropanedioate (CAS 15781-74-5) is a chemical compound with molecular formula C22H12Cl6O4 and molecular weight 549.88666 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2,4,6-trichlorophenyl) 2-benzylpropanedioate
Also Known As: Dimethylbenzylmalonate, bis(2,4,6-trichlorophenyl) 2-benzylpropanedioate, Bis(2,4,6-Trichlorophenyl) 2-benzylmalonate, di(2,4,6-trichlorophenyl) 2-benzylmalonate, Bis(2,4,6-trichlorophenyl) benzylpropanedioate
Technical Specifications
| Molecular Formula | C22H12Cl6O4 |
| Molecular Weight | 549.88666 g/mol |
| XLogP | 9.0 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 549.88666 Da |
| Heavy Atoms | 32 |
| Complexity | 578.0 |
| SMILES | C1=CC=C(C=C1)CC(C(=O)OC2=C(C=C(C=C2Cl)Cl)Cl)C(=O)OC3=C(C=C(C=C3Cl)Cl)Cl |
| InChIKey | RNBMJSSNLLUUNZ-UHFFFAOYSA-N |
Chemical Property Profile of Bis(2,4,6-trichlorophenyl) benzylpropanedioate
Property Insights of Bis(2,4,6-trichlorophenyl) benzylpropanedioate
The XLogP value of 9.0 indicates that Bis(2,4,6-trichlorophenyl) benzylpropanedioate 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(2,4,6-trichlorophenyl) benzylpropanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2,4,6-trichlorophenyl) benzylpropanedioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Bis(2,4,6-trichlorophenyl) benzylpropanedioate?
The CAS number of Bis(2,4,6-trichlorophenyl) benzylpropanedioate is 15781-74-5.
What is the molecular formula of Bis(2,4,6-trichlorophenyl) benzylpropanedioate?
The molecular formula of Bis(2,4,6-trichlorophenyl) benzylpropanedioate is C22H12Cl6O4.
What is the molecular weight of Bis(2,4,6-trichlorophenyl) benzylpropanedioate?
The molecular weight of Bis(2,4,6-trichlorophenyl) benzylpropanedioate is 549.88666 g/mol.
Where can I buy Bis(2,4,6-trichlorophenyl) benzylpropanedioate?
You can request a quote for Bis(2,4,6-trichlorophenyl) benzylpropanedioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bis(2,4,6-trichlorophenyl) benzylpropanedioate?
Yes, CoreyChem provides custom synthesis services for Bis(2,4,6-trichlorophenyl) benzylpropanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.