2-(4-Bromoanilino)cyclohexan-1-one
TL;DR: 2-(4-Bromoanilino)cyclohexan-1-one (CAS 100116-02-7) is a chemical compound with molecular formula C12H14BrNO and molecular weight 267.02588 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-bromoanilino)cyclohexan-1-one
Also Known As: 2-(4-bromo-anilino)-cyclohexanone, 2-(4-bromoanilino)cyclohexan-1-one, 2-[(4-bromophenyl)amino]cyclohexanone
Technical Specifications
| Molecular Formula | C12H14BrNO |
| Molecular Weight | 267.02588 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 | 267.02588 Da |
| Heavy Atoms | 15 |
| Complexity | 224.0 |
| SMILES | C1CCC(=O)C(C1)NC2=CC=C(C=C2)Br |
| InChIKey | ZWEDBGFOQJIBLP-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Bromoanilino)cyclohexan-1-one
Property Insights of 2-(4-Bromoanilino)cyclohexan-1-one
The XLogP value of 3.3 indicates that 2-(4-Bromoanilino)cyclohexan-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-(4-Bromoanilino)cyclohexan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromoanilino)cyclohexan-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-(4-Bromoanilino)cyclohexan-1-one?
The CAS number of 2-(4-Bromoanilino)cyclohexan-1-one is 100116-02-7.
What is the molecular formula of 2-(4-Bromoanilino)cyclohexan-1-one?
The molecular formula of 2-(4-Bromoanilino)cyclohexan-1-one is C12H14BrNO.
What is the molecular weight of 2-(4-Bromoanilino)cyclohexan-1-one?
The molecular weight of 2-(4-Bromoanilino)cyclohexan-1-one is 267.02588 g/mol.
Where can I buy 2-(4-Bromoanilino)cyclohexan-1-one?
You can request a quote for 2-(4-Bromoanilino)cyclohexan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Bromoanilino)cyclohexan-1-one?
Yes, CoreyChem provides custom synthesis services for 2-(4-Bromoanilino)cyclohexan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.