2,6-Dichloro-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
TL;DR: 2,6-Dichloro-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one (CAS 6956-79-2) is a chemical compound with molecular formula C8H5Cl5O and molecular weight 291.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dichloro-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
Also Known As: NCIOpen2_002888, 2,6-dichloro-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one, 2,5-Cyclohexadien-1-one,2,6-dichloro-4-methyl-4-(trichloromethyl)-, AO-840/42717669, 1-Methyl-1-trichlormethyl-3,5-dichlor-cyclohexadien-(2,5)-ol-(4)
| Molecular Formula | C8H5Cl5O |
|---|---|
| Molecular Weight | 291.88 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 291.8783 |
| Heavy Atoms | 14 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 6956-79-2 |
|---|---|
| SMILES | CC1(C=C(C(=O)C(=C1)Cl)Cl)C(Cl)(Cl)Cl |
| InChIKey | UKZRDSWXCVWWLD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dichloro-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one (CAS 6956-79-2), with molecular formula C8H5Cl5O and molecular weight 291.88 g/mol. IUPAC: 2,6-dichloro-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one.
Chemical Property Profile of 2,6-Dichloro-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
Property Insights of 2,6-Dichloro-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
The XLogP value of 5.0 indicates that 2,6-Dichloro-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2,6-Dichloro-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dichloro-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one has 0 hydrogen bond donor(s) and 1 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 2,6-Dichloro-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one?
The CAS number of 2,6-Dichloro-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one is 6956-79-2.
What is the molecular formula of 2,6-Dichloro-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one?
The molecular formula of 2,6-Dichloro-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one is C8H5Cl5O.
What is the molecular weight of 2,6-Dichloro-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one?
The molecular weight of 2,6-Dichloro-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one is 291.88 g/mol.
Where can I buy 2,6-Dichloro-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one?
You can request a quote for 2,6-Dichloro-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dichloro-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dichloro-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.