TL;DR: Ethane, 2,2-bis(m-chloro-p-tolyl)-1,1,1-trichloro- (CAS 63938-32-9) is a chemical compound with molecular formula C16H13Cl5 and molecular weight 379.94598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-1-methyl-4-[2,2,2-trichloro-1-(3-chloro-4-methylphenyl)ethyl]benzene
Also Known As: 2,2-Bis(m-chloro-p-tolyl)-1,1,1-trichloroethane, ETHANE, 2,2-BIS(m-CHLORO-p-TOLYL)-1,1,1-TRICHLORO-, 2,2-Bis(3-chloro-p-tolyl)-1,1,1-trichloroethane, 2-chloro-1-methyl-4-[2,2,2-trichloro-1-(3-chloro-4-methylphenyl)ethyl]benzene, Benzene, 1,1'-(2,2,2-trichloroethylidene)bis[3-chloro-4-methyl-
| Molecular Formula | C16H13Cl5 |
| Molecular Weight | 379.94598 g/mol |
| XLogP | 7.5 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 381.94305 Da |
| Heavy Atoms | 21 |
| Complexity | 314.0 |
| SMILES | CC1=C(C=C(C=C1)C(C2=CC(=C(C=C2)C)Cl)C(Cl)(Cl)Cl)Cl |
| InChIKey | KVTQUBPHWFLVOK-UHFFFAOYSA-N |
The XLogP value of 7.5 indicates that Ethane, 2,2-bis(m-chloro-p-tolyl)-1,1,1-trichloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Ethane, 2,2-bis(m-chloro-p-tolyl)-1,1,1-trichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethane, 2,2-bis(m-chloro-p-tolyl)-1,1,1-trichloro- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ethane, 2,2-bis(m-chloro-p-tolyl)-1,1,1-trichloro- is 63938-32-9.
The molecular formula of Ethane, 2,2-bis(m-chloro-p-tolyl)-1,1,1-trichloro- is C16H13Cl5.
The molecular weight of Ethane, 2,2-bis(m-chloro-p-tolyl)-1,1,1-trichloro- is 379.94598 g/mol.
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