2-Anilinocyclohexanone
TL;DR: 2-Anilinocyclohexanone (CAS 4504-43-2) is a chemical compound with molecular formula C12H15NO and molecular weight 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-anilinocyclohexan-1-one
Also Known As: 2-Anilinocyclohexanone, 2-anilinocyclohexan-1-one, Cyclohexanone, 2-anilino-, Cyclohexanone,2-anilino, 2-phenylaminocyclohexanone
| Molecular Formula | C12H15NO |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 2.6102 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.11537 |
| Heavy Atoms | 14 |
| Complexity | 307.35757 |
Chemical Identifiers
| CAS Number | 4504-43-2 |
|---|---|
| SMILES | C1CCC(=O)C(C1)NC2=CC=CC=C2 |
Product Overview
2-Anilinocyclohexanone (CAS 4504-43-2), with molecular formula C12H15NO and molecular weight 189.12 g/mol. IUPAC: 2-anilinocyclohexan-1-one.
Chemical Property Profile of 2-Anilinocyclohexanone
Property Insights of 2-Anilinocyclohexanone
The XLogP value of 2.6102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Anilinocyclohexanone. With a topological polar surface area (TPSA) of 29.1 Ų, 2-Anilinocyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Anilinocyclohexanone 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
Frequently Asked Questions
What is the CAS number of 2-Anilinocyclohexanone?
The CAS number of 2-Anilinocyclohexanone is 4504-43-2.
What is the molecular formula of 2-Anilinocyclohexanone?
The molecular formula of 2-Anilinocyclohexanone is C12H15NO.
What is the molecular weight of 2-Anilinocyclohexanone?
The molecular weight of 2-Anilinocyclohexanone is 189.12 g/mol.
Where can I buy 2-Anilinocyclohexanone?
You can request a quote for 2-Anilinocyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Anilinocyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Anilinocyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.