2-Bromo-3-(phenylamino)cyclohex-2-EN-1-one
TL;DR: 2-Bromo-3-(phenylamino)cyclohex-2-EN-1-one (CAS 1020252-35-0) is a chemical compound with molecular formula C12H12BrNO and molecular weight 265.01022 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-anilino-2-bromocyclohex-2-en-1-one
Also Known As: 2-BROMO-3-(PHENYLAMINO)CYCLOHEX-2-EN-1-ONE, 3-anilino-2-bromocyclohex-2-en-1-one, 3-anilino-2-bromo-cyclohex-2-en-1-one, 3-anilino-2-bromo-2-cyclohexen-1-one
Technical Specifications
| Molecular Formula | C12H12BrNO |
| Molecular Weight | 265.01022 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.01022 Da |
| Heavy Atoms | 15 |
| Complexity | 279.0 |
| SMILES | C1CC(=C(C(=O)C1)Br)NC2=CC=CC=C2 |
| InChIKey | BFETUHMEBHZSJF-UHFFFAOYSA-N |
Chemical Property Profile of 2-Bromo-3-(phenylamino)cyclohex-2-EN-1-one
Property Insights of 2-Bromo-3-(phenylamino)cyclohex-2-EN-1-one
The XLogP value of 3.1 indicates that 2-Bromo-3-(phenylamino)cyclohex-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, 2-Bromo-3-(phenylamino)cyclohex-2-EN-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-3-(phenylamino)cyclohex-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 2-Bromo-3-(phenylamino)cyclohex-2-EN-1-one?
The CAS number of 2-Bromo-3-(phenylamino)cyclohex-2-EN-1-one is 1020252-35-0.
What is the molecular formula of 2-Bromo-3-(phenylamino)cyclohex-2-EN-1-one?
The molecular formula of 2-Bromo-3-(phenylamino)cyclohex-2-EN-1-one is C12H12BrNO.
What is the molecular weight of 2-Bromo-3-(phenylamino)cyclohex-2-EN-1-one?
The molecular weight of 2-Bromo-3-(phenylamino)cyclohex-2-EN-1-one is 265.01022 g/mol.
Where can I buy 2-Bromo-3-(phenylamino)cyclohex-2-EN-1-one?
You can request a quote for 2-Bromo-3-(phenylamino)cyclohex-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-(phenylamino)cyclohex-2-EN-1-one?
Yes, CoreyChem provides custom synthesis services for 2-Bromo-3-(phenylamino)cyclohex-2-EN-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.