6-(Dichloromethyl)-5,6-dimethylcyclohexa-2,4-dien-1-one
TL;DR: 6-(Dichloromethyl)-5,6-dimethylcyclohexa-2,4-dien-1-one (CAS 148473-16-9) is a chemical compound with molecular formula C9H10Cl2O and molecular weight 204.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(dichloromethyl)-5,6-dimethylcyclohexa-2,4-dien-1-one
Also Known As: 6-(dichloromethyl)-5,6-dimethylcyclohexa-2,4-dien-1-one, 2,4-Cyclohexadien-1-one,6-(dichloromethyl)-5,6-dimethyl-
| Molecular Formula | C9H10Cl2O |
|---|---|
| Molecular Weight | 204.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.01086 |
| Heavy Atoms | 12 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 148473-16-9 |
|---|---|
| SMILES | CC1=CC=CC(=O)C1(C)C(Cl)Cl |
| InChIKey | OESNZIWKFZZDPM-UHFFFAOYSA-N |
Product Overview
6-(Dichloromethyl)-5,6-dimethylcyclohexa-2,4-dien-1-one (CAS 148473-16-9), with molecular formula C9H10Cl2O and molecular weight 204.01 g/mol. IUPAC: 6-(dichloromethyl)-5,6-dimethylcyclohexa-2,4-dien-1-one.
Chemical Property Profile of 6-(Dichloromethyl)-5,6-dimethylcyclohexa-2,4-dien-1-one
Property Insights of 6-(Dichloromethyl)-5,6-dimethylcyclohexa-2,4-dien-1-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Dichloromethyl)-5,6-dimethylcyclohexa-2,4-dien-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, 6-(Dichloromethyl)-5,6-dimethylcyclohexa-2,4-dien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Dichloromethyl)-5,6-dimethylcyclohexa-2,4-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 6-(Dichloromethyl)-5,6-dimethylcyclohexa-2,4-dien-1-one?
The CAS number of 6-(Dichloromethyl)-5,6-dimethylcyclohexa-2,4-dien-1-one is 148473-16-9.
What is the molecular formula of 6-(Dichloromethyl)-5,6-dimethylcyclohexa-2,4-dien-1-one?
The molecular formula of 6-(Dichloromethyl)-5,6-dimethylcyclohexa-2,4-dien-1-one is C9H10Cl2O.
What is the molecular weight of 6-(Dichloromethyl)-5,6-dimethylcyclohexa-2,4-dien-1-one?
The molecular weight of 6-(Dichloromethyl)-5,6-dimethylcyclohexa-2,4-dien-1-one is 204.01 g/mol.
Where can I buy 6-(Dichloromethyl)-5,6-dimethylcyclohexa-2,4-dien-1-one?
You can request a quote for 6-(Dichloromethyl)-5,6-dimethylcyclohexa-2,4-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 6-(Dichloromethyl)-5,6-dimethylcyclohexa-2,4-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(Dichloromethyl)-5,6-dimethylcyclohexa-2,4-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.