4,4'-Dichloro-alpha-(dichloromethyl)benzhydrol
TL;DR: 4,4'-Dichloro-alpha-(dichloromethyl)benzhydrol (CAS 40431-49-0) is a chemical compound with molecular formula C14H10Cl4O and molecular weight 333.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloro-1,1-bis(4-chlorophenyl)ethanol
Also Known As: Dechloromethyl-dicofol, Dicofol-2-deschloro, 2,2-dichloro-1,1-bis(4-chlorophenyl)ethanol, 1,1-BIS 2,2-DICHLOROETHANOL, 4,4'-Dichloro-alpha-(dichloromethyl)benzhydrol
| Molecular Formula | C14H10Cl4O |
|---|---|
| Molecular Weight | 333.95 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.94858 |
| Heavy Atoms | 19 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 40431-49-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(Cl)Cl)O)Cl |
| InChIKey | NVUMAPVZONTQRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Dichloro-alpha-(dichloromethyl)benzhydrol (CAS 40431-49-0), with molecular formula C14H10Cl4O and molecular weight 333.95 g/mol. IUPAC: 2,2-dichloro-1,1-bis(4-chlorophenyl)ethanol.
Chemical Property Profile of 4,4'-Dichloro-alpha-(dichloromethyl)benzhydrol
Property Insights of 4,4'-Dichloro-alpha-(dichloromethyl)benzhydrol
The XLogP value of 5.2 indicates that 4,4'-Dichloro-alpha-(dichloromethyl)benzhydrol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 4,4'-Dichloro-alpha-(dichloromethyl)benzhydrol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-Dichloro-alpha-(dichloromethyl)benzhydrol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4'-Dichloro-alpha-(dichloromethyl)benzhydrol?
The CAS number of 4,4'-Dichloro-alpha-(dichloromethyl)benzhydrol is 40431-49-0.
What is the molecular formula of 4,4'-Dichloro-alpha-(dichloromethyl)benzhydrol?
The molecular formula of 4,4'-Dichloro-alpha-(dichloromethyl)benzhydrol is C14H10Cl4O.
What is the molecular weight of 4,4'-Dichloro-alpha-(dichloromethyl)benzhydrol?
The molecular weight of 4,4'-Dichloro-alpha-(dichloromethyl)benzhydrol is 333.95 g/mol.
Where can I buy 4,4'-Dichloro-alpha-(dichloromethyl)benzhydrol?
You can request a quote for 4,4'-Dichloro-alpha-(dichloromethyl)benzhydrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Dichloro-alpha-(dichloromethyl)benzhydrol?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Dichloro-alpha-(dichloromethyl)benzhydrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.