4-Methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
TL;DR: 4-Methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one (CAS 3274-12-2) is a chemical compound with molecular formula C8H7Cl3O and molecular weight 223.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
Also Known As: 4-Methyl-4-(trichloromethyl)cyclohexa-2,5-dienone, 4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one, 4-Methyl-4-(trichloromethyl)-2,5-cyclohexadien-1-one, 2, 4-methyl-4-(trichloromethyl)-, 4-METHYL-4-TRICHLOROMETHYL-2,5-CYCLOHEXADIEN-1-ONE)
| Molecular Formula | C8H7Cl3O |
|---|---|
| Molecular Weight | 223.96 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 223.95625 |
| Heavy Atoms | 12 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 3274-12-2 |
|---|---|
| SMILES | CC1(C=CC(=O)C=C1)C(Cl)(Cl)Cl |
| InChIKey | RCHALGLCCGJUAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one (CAS 3274-12-2), with molecular formula C8H7Cl3O and molecular weight 223.96 g/mol. IUPAC: 4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one.
Chemical Property Profile of 4-Methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
Property Insights of 4-Methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
The XLogP value of 3.3 indicates that 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, 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, 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 4-Methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one?
The CAS number of 4-Methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one is 3274-12-2.
What is the molecular formula of 4-Methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one?
The molecular formula of 4-Methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one is C8H7Cl3O.
What is the molecular weight of 4-Methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one?
The molecular weight of 4-Methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one is 223.96 g/mol.
Where can I buy 4-Methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one?
You can request a quote for 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 4-Methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.