3-((2-Bromophenyl)amino)-5-methylcyclohex-2-EN-1-one
TL;DR: 3-((2-Bromophenyl)amino)-5-methylcyclohex-2-EN-1-one (CAS 1024430-97-4) is a chemical compound with molecular formula C13H14BrNO and molecular weight 279.02588 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-bromoanilino)-5-methylcyclohex-2-en-1-one
Also Known As: 3-(2-bromoanilino)-5-methylcyclohex-2-en-1-one, 3-((2-BROMOPHENYL)AMINO)-5-METHYLCYCLOHEX-2-EN-1-ONE, 3-[(2-bromophenyl)amino]-5-methylcyclohex-2-en-1-one, 3-(2-bromoanilino)-5-methyl-cyclohex-2-en-1-one, 3-[(2-bromophenyl)amino]-5-methyl-cyclohex-2-en-1-one
Technical Specifications
| Molecular Formula | C13H14BrNO |
| Molecular Weight | 279.02588 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.02588 Da |
| Heavy Atoms | 16 |
| Complexity | 300.0 |
| SMILES | CC1CC(=CC(=O)C1)NC2=CC=CC=C2Br |
| InChIKey | RDQSPFDYPQPHMZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-((2-Bromophenyl)amino)-5-methylcyclohex-2-EN-1-one
Property Insights of 3-((2-Bromophenyl)amino)-5-methylcyclohex-2-EN-1-one
The XLogP value of 3.3 indicates that 3-((2-Bromophenyl)amino)-5-methylcyclohex-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 29.1 Ų, 3-((2-Bromophenyl)amino)-5-methylcyclohex-2-EN-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((2-Bromophenyl)amino)-5-methylcyclohex-2-EN-1-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-((2-Bromophenyl)amino)-5-methylcyclohex-2-EN-1-one?
The CAS number of 3-((2-Bromophenyl)amino)-5-methylcyclohex-2-EN-1-one is 1024430-97-4.
What is the molecular formula of 3-((2-Bromophenyl)amino)-5-methylcyclohex-2-EN-1-one?
The molecular formula of 3-((2-Bromophenyl)amino)-5-methylcyclohex-2-EN-1-one is C13H14BrNO.
What is the molecular weight of 3-((2-Bromophenyl)amino)-5-methylcyclohex-2-EN-1-one?
The molecular weight of 3-((2-Bromophenyl)amino)-5-methylcyclohex-2-EN-1-one is 279.02588 g/mol.
Where can I buy 3-((2-Bromophenyl)amino)-5-methylcyclohex-2-EN-1-one?
You can request a quote for 3-((2-Bromophenyl)amino)-5-methylcyclohex-2-EN-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-((2-Bromophenyl)amino)-5-methylcyclohex-2-EN-1-one?
Yes, CoreyChem provides custom synthesis services for 3-((2-Bromophenyl)amino)-5-methylcyclohex-2-EN-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.