4-(Dichloromethyl)-2,6-bis(1,1-dimethylethyl)-4-methyl-2,5-cyclohexadien-1-one
TL;DR: 4-(Dichloromethyl)-2,6-bis(1,1-dimethylethyl)-4-methyl-2,5-cyclohexadien-1-one (CAS 54537-87-0) is a chemical compound with molecular formula C16H24Cl2O and molecular weight 302.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-(dichloromethyl)-4-methylcyclohexa-2,5-dien-1-one
Also Known As: 4-(Dichloromethyl)-2,6-bis(1,1-dimethylethyl)-4-methyl-2,5-cyclohexadien-1-one, 2,6-di-tert-butyl-4-(dichloromethyl)-4-methylcyclohexa-2,5-dien-1-one, 2,6-di-t-butyl-4-dichloromethyl-4-methylcyclohexa-2,5-dien-1-one, 2,6-di-tert-butyl-4-(dichloromethyl)-4-methylcyclohexa-2,5-dienone, 2,6-ditert-butyl-4-(dichloromethyl)-4-methylcyclohexa-2,5-dien-1-one
| Molecular Formula | C16H24Cl2O |
|---|---|
| Molecular Weight | 302.12 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.12042 |
| Heavy Atoms | 19 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 54537-87-0 |
|---|---|
| SMILES | CC1(C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)C(Cl)Cl |
| InChIKey | LJEFTNVYDZZYTA-UHFFFAOYSA-N |
Product Overview
4-(Dichloromethyl)-2,6-bis(1,1-dimethylethyl)-4-methyl-2,5-cyclohexadien-1-one (CAS 54537-87-0), with molecular formula C16H24Cl2O and molecular weight 302.12 g/mol. IUPAC: 2,6-ditert-butyl-4-(dichloromethyl)-4-methylcyclohexa-2,5-dien-1-one.
Chemical Property Profile of 4-(Dichloromethyl)-2,6-bis(1,1-dimethylethyl)-4-methyl-2,5-cyclohexadien-1-one
Property Insights of 4-(Dichloromethyl)-2,6-bis(1,1-dimethylethyl)-4-methyl-2,5-cyclohexadien-1-one
The XLogP value of 6.1 indicates that 4-(Dichloromethyl)-2,6-bis(1,1-dimethylethyl)-4-methyl-2,5-cyclohexadien-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-(Dichloromethyl)-2,6-bis(1,1-dimethylethyl)-4-methyl-2,5-cyclohexadien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Dichloromethyl)-2,6-bis(1,1-dimethylethyl)-4-methyl-2,5-cyclohexadien-1-one has 0 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-(Dichloromethyl)-2,6-bis(1,1-dimethylethyl)-4-methyl-2,5-cyclohexadien-1-one?
The CAS number of 4-(Dichloromethyl)-2,6-bis(1,1-dimethylethyl)-4-methyl-2,5-cyclohexadien-1-one is 54537-87-0.
What is the molecular formula of 4-(Dichloromethyl)-2,6-bis(1,1-dimethylethyl)-4-methyl-2,5-cyclohexadien-1-one?
The molecular formula of 4-(Dichloromethyl)-2,6-bis(1,1-dimethylethyl)-4-methyl-2,5-cyclohexadien-1-one is C16H24Cl2O.
What is the molecular weight of 4-(Dichloromethyl)-2,6-bis(1,1-dimethylethyl)-4-methyl-2,5-cyclohexadien-1-one?
The molecular weight of 4-(Dichloromethyl)-2,6-bis(1,1-dimethylethyl)-4-methyl-2,5-cyclohexadien-1-one is 302.12 g/mol.
Where can I buy 4-(Dichloromethyl)-2,6-bis(1,1-dimethylethyl)-4-methyl-2,5-cyclohexadien-1-one?
You can request a quote for 4-(Dichloromethyl)-2,6-bis(1,1-dimethylethyl)-4-methyl-2,5-cyclohexadien-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-(Dichloromethyl)-2,6-bis(1,1-dimethylethyl)-4-methyl-2,5-cyclohexadien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Dichloromethyl)-2,6-bis(1,1-dimethylethyl)-4-methyl-2,5-cyclohexadien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.