2,2-Bis(p-acetoxyphenyl)-1,1,1-trichloroethane
TL;DR: 2,2-Bis(p-acetoxyphenyl)-1,1,1-trichloroethane (CAS 4399-06-8) is a chemical compound with molecular formula C18H15Cl3O4 and molecular weight 400.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[1-(4-acetyloxyphenyl)-2,2,2-trichloroethyl]phenyl] acetate
Also Known As: NIOSH/SN2485000, 2,2-Bis(p-acetoxyphenyl)-1,1,1-trichloroethane, BAS 00093581, 4,4'-(2,2,2-Trichloroethylidene)diphenol diacetate, Phenol, 4,4'-(2,2,2-trichloroethylidene)di-, diacetate
| Molecular Formula | C18H15Cl3O4 |
|---|---|
| Molecular Weight | 400.00 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.0036 |
| Heavy Atoms | 25 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 4399-06-8 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C(Cl)(Cl)Cl |
| InChIKey | VZGNYBKLJTTWBY-UHFFFAOYSA-N |
Product Overview
2,2-Bis(p-acetoxyphenyl)-1,1,1-trichloroethane (CAS 4399-06-8), with molecular formula C18H15Cl3O4 and molecular weight 400.00 g/mol. IUPAC: [4-[1-(4-acetyloxyphenyl)-2,2,2-trichloroethyl]phenyl] acetate.
Chemical Property Profile of 2,2-Bis(p-acetoxyphenyl)-1,1,1-trichloroethane
Property Insights of 2,2-Bis(p-acetoxyphenyl)-1,1,1-trichloroethane
The XLogP value of 4.6 indicates that 2,2-Bis(p-acetoxyphenyl)-1,1,1-trichloroethane 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-Bis(p-acetoxyphenyl)-1,1,1-trichloroethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Bis(p-acetoxyphenyl)-1,1,1-trichloroethane has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2-Bis(p-acetoxyphenyl)-1,1,1-trichloroethane?
The CAS number of 2,2-Bis(p-acetoxyphenyl)-1,1,1-trichloroethane is 4399-06-8.
What is the molecular formula of 2,2-Bis(p-acetoxyphenyl)-1,1,1-trichloroethane?
The molecular formula of 2,2-Bis(p-acetoxyphenyl)-1,1,1-trichloroethane is C18H15Cl3O4.
What is the molecular weight of 2,2-Bis(p-acetoxyphenyl)-1,1,1-trichloroethane?
The molecular weight of 2,2-Bis(p-acetoxyphenyl)-1,1,1-trichloroethane is 400.00 g/mol.
Where can I buy 2,2-Bis(p-acetoxyphenyl)-1,1,1-trichloroethane?
You can request a quote for 2,2-Bis(p-acetoxyphenyl)-1,1,1-trichloroethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Bis(p-acetoxyphenyl)-1,1,1-trichloroethane?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Bis(p-acetoxyphenyl)-1,1,1-trichloroethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.