2,4-Diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexan-1-one
TL;DR: 2,4-Diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexan-1-one (CAS 76354-24-0) is a chemical compound with molecular formula C17H19BrO4 and molecular weight 366.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexan-1-one
Also Known As: BAS 00552846, J2.700.773B, 2,4-diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexan-1-one, 2,4-Diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexanone, A1786/0075658
| Molecular Formula | C17H19BrO4 |
|---|---|
| Molecular Weight | 366.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.04666 |
| Heavy Atoms | 22 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 76354-24-0 |
|---|---|
| SMILES | CC(=O)C1C(C(C(CC1=O)(C)O)C(=O)C)C2=CC=C(C=C2)Br |
| InChIKey | RAHYDEYNMNOBFR-UHFFFAOYSA-N |
Product Overview
2,4-Diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexan-1-one (CAS 76354-24-0), with molecular formula C17H19BrO4 and molecular weight 366.05 g/mol. IUPAC: 2,4-diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexan-1-one.
Chemical Property Profile of 2,4-Diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexan-1-one
Property Insights of 2,4-Diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexan-1-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexan-1-one. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexan-1-one. Following Lipinski's Rule of Five, 2,4-Diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexan-1-one has 1 hydrogen bond donor(s) and 4 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 2,4-Diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexan-1-one?
The CAS number of 2,4-Diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexan-1-one is 76354-24-0.
What is the molecular formula of 2,4-Diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexan-1-one?
The molecular formula of 2,4-Diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexan-1-one is C17H19BrO4.
What is the molecular weight of 2,4-Diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexan-1-one?
The molecular weight of 2,4-Diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexan-1-one is 366.05 g/mol.
Where can I buy 2,4-Diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexan-1-one?
You can request a quote for 2,4-Diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.