4-Chloromethyl-4-methyl-cyclohexa-2,5-dienone
TL;DR: 4-Chloromethyl-4-methyl-cyclohexa-2,5-dienone (CAS 7572-72-7) is a chemical compound with molecular formula C8H9ClO and molecular weight 156.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(chloromethyl)-4-methylcyclohexa-2,5-dien-1-one
Also Known As: 4-CHLOROMETHYL-4-METHYL-CYCLOHEXA-2,5-DIENONE, 4-(chloromethyl)-4-methylcyclohexa-2,5-dien-1-one, 4-(Chloromethyl)-4-methylcyclohexa-2,5-dienone, 4-chloromethyl-4-methylcyclohexa-2,5-dien-1-one, 4-(chloromethyl)-4-methyl-cyclohexa-2,5-dien-1-one
| Molecular Formula | C8H9ClO |
|---|---|
| Molecular Weight | 156.03 g/mol |
| LogP | 1.9266 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.0342 |
| Heavy Atoms | 10 |
| Complexity | 187.30313 |
Chemical Identifiers
| CAS Number | 7572-72-7 |
|---|---|
| SMILES | CC1(C=CC(=O)C=C1)CCl |
Product Overview
4-Chloromethyl-4-methyl-cyclohexa-2,5-dienone (CAS 7572-72-7), with molecular formula C8H9ClO and molecular weight 156.03 g/mol. IUPAC: 4-(chloromethyl)-4-methylcyclohexa-2,5-dien-1-one.
Chemical Property Profile of 4-Chloromethyl-4-methyl-cyclohexa-2,5-dienone
Property Insights of 4-Chloromethyl-4-methyl-cyclohexa-2,5-dienone
The XLogP value of 1.9266 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloromethyl-4-methyl-cyclohexa-2,5-dienone. With a topological polar surface area (TPSA) of 17.07 Ų, 4-Chloromethyl-4-methyl-cyclohexa-2,5-dienone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloromethyl-4-methyl-cyclohexa-2,5-dienone 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-Chloromethyl-4-methyl-cyclohexa-2,5-dienone?
The CAS number of 4-Chloromethyl-4-methyl-cyclohexa-2,5-dienone is 7572-72-7.
What is the molecular formula of 4-Chloromethyl-4-methyl-cyclohexa-2,5-dienone?
The molecular formula of 4-Chloromethyl-4-methyl-cyclohexa-2,5-dienone is C8H9ClO.
What is the molecular weight of 4-Chloromethyl-4-methyl-cyclohexa-2,5-dienone?
The molecular weight of 4-Chloromethyl-4-methyl-cyclohexa-2,5-dienone is 156.03 g/mol.
Where can I buy 4-Chloromethyl-4-methyl-cyclohexa-2,5-dienone?
You can request a quote for 4-Chloromethyl-4-methyl-cyclohexa-2,5-dienone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloromethyl-4-methyl-cyclohexa-2,5-dienone?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloromethyl-4-methyl-cyclohexa-2,5-dienone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.