Tritox 50
TL;DR: Tritox 50 (CAS 8068-36-8) is a chemical compound with molecular formula C36H30Cl14O2 and molecular weight 983.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene;1,2,3,4,5,6-hexachlorocyclohexane;1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene
Also Known As: Tritox, Tritox 50, 1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene; 1,2,3,4,5,6-hexachlorocyclohexane; 1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene, Benzene, 1,1'-(2,2,2-trichloroethylidene)bis(4-chloro-, mixt. with (1alpha,2alpha,3beta,4aalpha,5alpha,6beta)-1,2,3,4,5,6-hexachlorocyclohexane and 1,1'-(2,2,2-trichloroethylidene)bis(4-methoxybenzene)
| Molecular Formula | C36H30Cl14O2 |
|---|---|
| Molecular Weight | 983.79 g/mol |
| LogP | 15.35 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 989.77966 |
| Heavy Atoms | 52 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 8068-36-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl.C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl.C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | RWMJZZIENLZZJH-UHFFFAOYSA-N |
Product Overview
Tritox 50 (CAS 8068-36-8), with molecular formula C36H30Cl14O2 and molecular weight 983.79 g/mol. IUPAC: 1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene;1,2,3,4,5,6-hexachlorocyclohexane;1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene.
Chemical Property Profile of Tritox 50
Property Insights of Tritox 50
The XLogP value of 15.35 indicates that Tritox 50 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, Tritox 50 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tritox 50 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tritox 50?
The CAS number of Tritox 50 is 8068-36-8.
What is the molecular formula of Tritox 50?
The molecular formula of Tritox 50 is C36H30Cl14O2.
What is the molecular weight of Tritox 50?
The molecular weight of Tritox 50 is 983.79 g/mol.
Where can I buy Tritox 50?
You can request a quote for Tritox 50 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tritox 50?
Yes, KEHONG BIO provides custom synthesis services for Tritox 50 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.