(2,2,2-Trichloroethane-1,1-diyl)bis(2-methyl-4,1-phenylene) diacetate
TL;DR: (2,2,2-Trichloroethane-1,1-diyl)bis(2-methyl-4,1-phenylene) diacetate (CAS 327098-70-4) is a chemical compound with molecular formula C20H19Cl3O4 and molecular weight 428.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[1-(4-acetyloxy-3-methylphenyl)-2,2,2-trichloroethyl]-2-methylphenyl] acetate
Also Known As: (2,2,2-trichloroethane-1,1-diyl)bis(2-methyl-4,1-phenylene) diacetate, (2,2,2-trichloroethane-1,1-diyl)bis-2-methylbenzene-4,1-diyl diacetate, [4-[1-(4-acetyloxy-3-methylphenyl)-2,2,2-trichloroethyl]-2-methylphenyl] acetate, 4-{1-[4-(ACETYLOXY)-3-METHYLPHENYL]-2,2,2-TRICHLOROETHYL}-2-METHYLPHENYL ACETATE, ACETIC ACID 4-(1-(4-ACO-3-ME-PH)-2,2,2-TRICHLORO-ETHYL)-2-METHYL-PHENYL ESTER
| Molecular Formula | C20H19Cl3O4 |
|---|---|
| Molecular Weight | 428.03 g/mol |
| LogP | 5.65614 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.03488 |
| Heavy Atoms | 27 |
| Complexity | 806.5159 |
Chemical Identifiers
| CAS Number | 327098-70-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(C2=CC(=C(C=C2)OC(=O)C)C)C(Cl)(Cl)Cl)OC(=O)C |
Product Overview
(2,2,2-Trichloroethane-1,1-diyl)bis(2-methyl-4,1-phenylene) diacetate (CAS 327098-70-4), with molecular formula C20H19Cl3O4 and molecular weight 428.03 g/mol. IUPAC: [4-[1-(4-acetyloxy-3-methylphenyl)-2,2,2-trichloroethyl]-2-methylphenyl] acetate.
Chemical Property Profile of (2,2,2-Trichloroethane-1,1-diyl)bis(2-methyl-4,1-phenylene) diacetate
Property Insights of (2,2,2-Trichloroethane-1,1-diyl)bis(2-methyl-4,1-phenylene) diacetate
The XLogP value of 5.65614 indicates that (2,2,2-Trichloroethane-1,1-diyl)bis(2-methyl-4,1-phenylene) diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, (2,2,2-Trichloroethane-1,1-diyl)bis(2-methyl-4,1-phenylene) diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,2,2-Trichloroethane-1,1-diyl)bis(2-methyl-4,1-phenylene) diacetate 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 (2,2,2-Trichloroethane-1,1-diyl)bis(2-methyl-4,1-phenylene) diacetate?
The CAS number of (2,2,2-Trichloroethane-1,1-diyl)bis(2-methyl-4,1-phenylene) diacetate is 327098-70-4.
What is the molecular formula of (2,2,2-Trichloroethane-1,1-diyl)bis(2-methyl-4,1-phenylene) diacetate?
The molecular formula of (2,2,2-Trichloroethane-1,1-diyl)bis(2-methyl-4,1-phenylene) diacetate is C20H19Cl3O4.
What is the molecular weight of (2,2,2-Trichloroethane-1,1-diyl)bis(2-methyl-4,1-phenylene) diacetate?
The molecular weight of (2,2,2-Trichloroethane-1,1-diyl)bis(2-methyl-4,1-phenylene) diacetate is 428.03 g/mol.
Where can I buy (2,2,2-Trichloroethane-1,1-diyl)bis(2-methyl-4,1-phenylene) diacetate?
You can request a quote for (2,2,2-Trichloroethane-1,1-diyl)bis(2-methyl-4,1-phenylene) diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,2,2-Trichloroethane-1,1-diyl)bis(2-methyl-4,1-phenylene) diacetate?
Yes, KEHONG BIO provides custom synthesis services for (2,2,2-Trichloroethane-1,1-diyl)bis(2-methyl-4,1-phenylene) diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.