![1,3-Cyclohexanedione, 2-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl- structure](/static/products/1124/112404-26-9.webp)
1,3-Cyclohexanedione, 2-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl-
TL;DR: 1,3-Cyclohexanedione, 2-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl- (CAS 112404-26-9) is a chemical compound with molecular formula C15H15BrO3 and molecular weight 322.02045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(4-bromophenyl)-2-oxoethyl]-5-methylcyclohexane-1,3-dione
Also Known As: starbld0026789, 2-[2-(4-bromophenyl)-2-oxoethyl]-5-methylcyclohexane-1,3-dione, 1,3-Cyclohexanedione, 2-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl-, 2-(2-(4-BROMOPHENYL)-2-OXOETHYL)-5-METHYLCYCLOHEXANE-1,3-DIONE, 2-[2-(4-bromophenyl)-2-oxo-ethyl]-5-methyl-cyclohexane-1,3-dione
Technical Specifications
| Molecular Formula | C15H15BrO3 |
| Molecular Weight | 322.02045 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.02045 Da |
| Heavy Atoms | 19 |
| Complexity | 365.0 |
| SMILES | CC1CC(=O)C(C(=O)C1)CC(=O)C2=CC=C(C=C2)Br |
| InChIKey | SIFOAINPKNMAMJ-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Cyclohexanedione, 2-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl-
Property Insights of 1,3-Cyclohexanedione, 2-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Cyclohexanedione, 2-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl-. With a topological polar surface area (TPSA) of 51.2 Ų, 1,3-Cyclohexanedione, 2-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Cyclohexanedione, 2-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Cyclohexanedione, 2-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl-?
The CAS number of 1,3-Cyclohexanedione, 2-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl- is 112404-26-9.
What is the molecular formula of 1,3-Cyclohexanedione, 2-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl-?
The molecular formula of 1,3-Cyclohexanedione, 2-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl- is C15H15BrO3.
What is the molecular weight of 1,3-Cyclohexanedione, 2-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl-?
The molecular weight of 1,3-Cyclohexanedione, 2-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl- is 322.02045 g/mol.
Where can I buy 1,3-Cyclohexanedione, 2-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl-?
You can request a quote for 1,3-Cyclohexanedione, 2-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Cyclohexanedione, 2-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl-?
Yes, CoreyChem provides custom synthesis services for 1,3-Cyclohexanedione, 2-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.