1-(2,4,5-Trichlorophenyl) 3-(2,4,6-trichlorophenyl) malonate
TL;DR: 1-(2,4,5-Trichlorophenyl) 3-(2,4,6-trichlorophenyl) malonate (CAS 345649-25-4) is a chemical compound with molecular formula C15H6Cl6O4 and molecular weight 459.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-(2,4,5-trichlorophenyl) 3-O-(2,4,6-trichlorophenyl) propanedioate
Also Known As: 1-(2,4,5-trichlorophenyl) 3-(2,4,6-trichlorophenyl) malonate, AJ-333/36116062, 1-O-(2,4,5-trichlorophenyl) 3-O-(2,4,6-trichlorophenyl) propanedioate
| Molecular Formula | C15H6Cl6O4 |
|---|---|
| Molecular Weight | 459.84 g/mol |
| LogP | 6.5081 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 459.83972 |
| Heavy Atoms | 25 |
| Complexity | 829.15063 |
Chemical Identifiers
| CAS Number | 345649-25-4 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)OC(=O)CC(=O)OC2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl |
Product Overview
1-(2,4,5-Trichlorophenyl) 3-(2,4,6-trichlorophenyl) malonate (CAS 345649-25-4), with molecular formula C15H6Cl6O4 and molecular weight 459.84 g/mol. IUPAC: 1-O-(2,4,5-trichlorophenyl) 3-O-(2,4,6-trichlorophenyl) propanedioate.
Chemical Property Profile of 1-(2,4,5-Trichlorophenyl) 3-(2,4,6-trichlorophenyl) malonate
Property Insights of 1-(2,4,5-Trichlorophenyl) 3-(2,4,6-trichlorophenyl) malonate
The XLogP value of 6.5081 indicates that 1-(2,4,5-Trichlorophenyl) 3-(2,4,6-trichlorophenyl) malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1-(2,4,5-Trichlorophenyl) 3-(2,4,6-trichlorophenyl) malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,4,5-Trichlorophenyl) 3-(2,4,6-trichlorophenyl) malonate 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 1-(2,4,5-Trichlorophenyl) 3-(2,4,6-trichlorophenyl) malonate?
The CAS number of 1-(2,4,5-Trichlorophenyl) 3-(2,4,6-trichlorophenyl) malonate is 345649-25-4.
What is the molecular formula of 1-(2,4,5-Trichlorophenyl) 3-(2,4,6-trichlorophenyl) malonate?
The molecular formula of 1-(2,4,5-Trichlorophenyl) 3-(2,4,6-trichlorophenyl) malonate is C15H6Cl6O4.
What is the molecular weight of 1-(2,4,5-Trichlorophenyl) 3-(2,4,6-trichlorophenyl) malonate?
The molecular weight of 1-(2,4,5-Trichlorophenyl) 3-(2,4,6-trichlorophenyl) malonate is 459.84 g/mol.
Where can I buy 1-(2,4,5-Trichlorophenyl) 3-(2,4,6-trichlorophenyl) malonate?
You can request a quote for 1-(2,4,5-Trichlorophenyl) 3-(2,4,6-trichlorophenyl) malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4,5-Trichlorophenyl) 3-(2,4,6-trichlorophenyl) malonate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4,5-Trichlorophenyl) 3-(2,4,6-trichlorophenyl) malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.