2-Bromo-3-(2-hydroxyanilino)-5,5-dimethylcyclohex-2-en-1-one
TL;DR: 2-Bromo-3-(2-hydroxyanilino)-5,5-dimethylcyclohex-2-en-1-one (CAS 1023559-75-2) is a chemical compound with molecular formula C14H16BrNO2 and molecular weight 309.03644 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-3-(2-hydroxyanilino)-5,5-dimethylcyclohex-2-en-1-one
Also Known As: 2-bromo-3-(2-hydroxyanilino)-5,5-dimethylcyclohex-2-en-1-one, 2-BROMO-3-((2-HYDROXYPHENYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE, 2-bromo-3-(2-hydroxyanilino)-5,5-dimethyl-cyclohex-2-en-1-one, 2-bromo-3-[(2-hydroxyphenyl)amino]-5,5-dimethyl-cyclohex-2-en-1-one
Technical Specifications
| Molecular Formula | C14H16BrNO2 |
| Molecular Weight | 309.03644 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.03644 Da |
| Heavy Atoms | 18 |
| Complexity | 376.0 |
| SMILES | CC1(CC(=C(C(=O)C1)Br)NC2=CC=CC=C2O)C |
| InChIKey | AFMPZDPPVYTELI-UHFFFAOYSA-N |
Chemical Property Profile of 2-Bromo-3-(2-hydroxyanilino)-5,5-dimethylcyclohex-2-en-1-one
Property Insights of 2-Bromo-3-(2-hydroxyanilino)-5,5-dimethylcyclohex-2-en-1-one
The XLogP value of 3.5 indicates that 2-Bromo-3-(2-hydroxyanilino)-5,5-dimethylcyclohex-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, 2-Bromo-3-(2-hydroxyanilino)-5,5-dimethylcyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-3-(2-hydroxyanilino)-5,5-dimethylcyclohex-2-en-1-one has 2 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 2-Bromo-3-(2-hydroxyanilino)-5,5-dimethylcyclohex-2-en-1-one?
The CAS number of 2-Bromo-3-(2-hydroxyanilino)-5,5-dimethylcyclohex-2-en-1-one is 1023559-75-2.
What is the molecular formula of 2-Bromo-3-(2-hydroxyanilino)-5,5-dimethylcyclohex-2-en-1-one?
The molecular formula of 2-Bromo-3-(2-hydroxyanilino)-5,5-dimethylcyclohex-2-en-1-one is C14H16BrNO2.
What is the molecular weight of 2-Bromo-3-(2-hydroxyanilino)-5,5-dimethylcyclohex-2-en-1-one?
The molecular weight of 2-Bromo-3-(2-hydroxyanilino)-5,5-dimethylcyclohex-2-en-1-one is 309.03644 g/mol.
Where can I buy 2-Bromo-3-(2-hydroxyanilino)-5,5-dimethylcyclohex-2-en-1-one?
You can request a quote for 2-Bromo-3-(2-hydroxyanilino)-5,5-dimethylcyclohex-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Bromo-3-(2-hydroxyanilino)-5,5-dimethylcyclohex-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 2-Bromo-3-(2-hydroxyanilino)-5,5-dimethylcyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.