![2-[2-(4-Bromophenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione structure](/static/products/1124/112404-27-0.webp)
2-[2-(4-Bromophenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione
TL;DR: 2-[2-(4-Bromophenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione (CAS 112404-27-0) is a chemical compound with molecular formula C16H17BrO3 and molecular weight 336.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-bromophenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: 2-[2-(4-bromophenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione, 2-(2-(4-BROMOPHENYL)-2-OXOETHYL)-5,5-DIMETHYLCYCLOHEXANE-1,3-DIONE, 2-[2-(4-bromophenyl)-2-oxo-ethyl]-5,5-dimethyl-cyclohexane-1,3-dione
| Molecular Formula | C16H17BrO3 |
|---|---|
| Molecular Weight | 336.04 g/mol |
| LogP | 3.5963 |
| Topological Polar Surface Area | 51.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.0361 |
| Heavy Atoms | 20 |
| Complexity | 537.58966 |
Chemical Identifiers
| CAS Number | 112404-27-0 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)CC(=O)C2=CC=C(C=C2)Br)C |
Product Overview
2-[2-(4-Bromophenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione (CAS 112404-27-0), with molecular formula C16H17BrO3 and molecular weight 336.04 g/mol. IUPAC: 2-[2-(4-bromophenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of 2-[2-(4-Bromophenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione
Property Insights of 2-[2-(4-Bromophenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione
The XLogP value of 3.5963 indicates that 2-[2-(4-Bromophenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.21 Ų, 2-[2-(4-Bromophenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(4-Bromophenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione 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
Frequently Asked Questions
What is the CAS number of 2-[2-(4-Bromophenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione?
The CAS number of 2-[2-(4-Bromophenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione is 112404-27-0.
What is the molecular formula of 2-[2-(4-Bromophenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione?
The molecular formula of 2-[2-(4-Bromophenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione is C16H17BrO3.
What is the molecular weight of 2-[2-(4-Bromophenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione?
The molecular weight of 2-[2-(4-Bromophenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione is 336.04 g/mol.
Where can I buy 2-[2-(4-Bromophenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione?
You can request a quote for 2-[2-(4-Bromophenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(4-Bromophenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-Bromophenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.