1,1,1-Trichloro-2,2-bis(4-methylphenyl)ethane
TL;DR: 1,1,1-Trichloro-2,2-bis(4-methylphenyl)ethane (CAS 4413-31-4) is a chemical compound with molecular formula C16H15Cl3 and molecular weight 312.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-[2,2,2-trichloro-1-(4-methylphenyl)ethyl]benzene
Also Known As: Methylchlor, Metilclor, Methyl-DDT, p,p-Methylchlor, 1,1,1-Trichloro-2,2-bis(p-tolyl)ethane
| Molecular Formula | C16H15Cl3 |
|---|---|
| Molecular Weight | 312.02 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.02393 |
| Heavy Atoms | 19 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 4413-31-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)C(Cl)(Cl)Cl |
| InChIKey | OEMKCHJUXPTUHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1-Trichloro-2,2-bis(4-methylphenyl)ethane (CAS 4413-31-4), with molecular formula C16H15Cl3 and molecular weight 312.02 g/mol. IUPAC: 1-methyl-4-[2,2,2-trichloro-1-(4-methylphenyl)ethyl]benzene.
Chemical Property Profile of 1,1,1-Trichloro-2,2-bis(4-methylphenyl)ethane
Property Insights of 1,1,1-Trichloro-2,2-bis(4-methylphenyl)ethane
The XLogP value of 5.6 indicates that 1,1,1-Trichloro-2,2-bis(4-methylphenyl)ethane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1,1-Trichloro-2,2-bis(4-methylphenyl)ethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trichloro-2,2-bis(4-methylphenyl)ethane has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1,1-Trichloro-2,2-bis(4-methylphenyl)ethane?
The CAS number of 1,1,1-Trichloro-2,2-bis(4-methylphenyl)ethane is 4413-31-4.
What is the molecular formula of 1,1,1-Trichloro-2,2-bis(4-methylphenyl)ethane?
The molecular formula of 1,1,1-Trichloro-2,2-bis(4-methylphenyl)ethane is C16H15Cl3.
What is the molecular weight of 1,1,1-Trichloro-2,2-bis(4-methylphenyl)ethane?
The molecular weight of 1,1,1-Trichloro-2,2-bis(4-methylphenyl)ethane is 312.02 g/mol.
Where can I buy 1,1,1-Trichloro-2,2-bis(4-methylphenyl)ethane?
You can request a quote for 1,1,1-Trichloro-2,2-bis(4-methylphenyl)ethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trichloro-2,2-bis(4-methylphenyl)ethane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trichloro-2,2-bis(4-methylphenyl)ethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.