4,5,6,8,8-Pentachlorooctyl 2,4,5-trichlorooctyl benzene-1,4-dicarboxylate
TL;DR: 4,5,6,8,8-Pentachlorooctyl 2,4,5-trichlorooctyl benzene-1,4-dicarboxylate (CAS 68515-61-7) is a chemical compound with molecular formula C24H30Cl8O4 and molecular weight 661.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-(4,5,6,8,8-pentachlorooctyl) 4-O-(2,4,5-trichlorooctyl) benzene-1,4-dicarboxylate
Also Known As: Chlorinated dioctyl terephthalate, Dioctyl terephthalate, chlorinated, 1,4-Benzenedicarboxylic acid, dioctyl ester, chlorinated, 4,5,6,8,8-pentachlorooctyl 2,4,5-trichlorooctyl benzene-1,4-dicarboxylate, 1,4-Benzenedicarboxylic acid, 1,4-dioctyl ester, chlorinated
| Molecular Formula | C24H30Cl8O4 |
|---|---|
| Molecular Weight | 661.97 g/mol |
| LogP | 9.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 665.95935 |
| Heavy Atoms | 36 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 68515-61-7 |
|---|---|
| SMILES | CCCC(C(CC(COC(=O)C1=CC=C(C=C1)C(=O)OCCCC(C(C(CC(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | VYESZYDIRODEBT-UHFFFAOYSA-N |
Product Overview
4,5,6,8,8-Pentachlorooctyl 2,4,5-trichlorooctyl benzene-1,4-dicarboxylate (CAS 68515-61-7), with molecular formula C24H30Cl8O4 and molecular weight 661.97 g/mol. IUPAC: 1-O-(4,5,6,8,8-pentachlorooctyl) 4-O-(2,4,5-trichlorooctyl) benzene-1,4-dicarboxylate.
Chemical Property Profile of 4,5,6,8,8-Pentachlorooctyl 2,4,5-trichlorooctyl benzene-1,4-dicarboxylate
Property Insights of 4,5,6,8,8-Pentachlorooctyl 2,4,5-trichlorooctyl benzene-1,4-dicarboxylate
The XLogP value of 9.6 indicates that 4,5,6,8,8-Pentachlorooctyl 2,4,5-trichlorooctyl benzene-1,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 4,5,6,8,8-Pentachlorooctyl 2,4,5-trichlorooctyl benzene-1,4-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6,8,8-Pentachlorooctyl 2,4,5-trichlorooctyl benzene-1,4-dicarboxylate 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 4,5,6,8,8-Pentachlorooctyl 2,4,5-trichlorooctyl benzene-1,4-dicarboxylate?
The CAS number of 4,5,6,8,8-Pentachlorooctyl 2,4,5-trichlorooctyl benzene-1,4-dicarboxylate is 68515-61-7.
What is the molecular formula of 4,5,6,8,8-Pentachlorooctyl 2,4,5-trichlorooctyl benzene-1,4-dicarboxylate?
The molecular formula of 4,5,6,8,8-Pentachlorooctyl 2,4,5-trichlorooctyl benzene-1,4-dicarboxylate is C24H30Cl8O4.
What is the molecular weight of 4,5,6,8,8-Pentachlorooctyl 2,4,5-trichlorooctyl benzene-1,4-dicarboxylate?
The molecular weight of 4,5,6,8,8-Pentachlorooctyl 2,4,5-trichlorooctyl benzene-1,4-dicarboxylate is 661.97 g/mol.
Where can I buy 4,5,6,8,8-Pentachlorooctyl 2,4,5-trichlorooctyl benzene-1,4-dicarboxylate?
You can request a quote for 4,5,6,8,8-Pentachlorooctyl 2,4,5-trichlorooctyl benzene-1,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6,8,8-Pentachlorooctyl 2,4,5-trichlorooctyl benzene-1,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,8,8-Pentachlorooctyl 2,4,5-trichlorooctyl benzene-1,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.