2-(4-Methoxybenzoyl)cyclohexanone
TL;DR: 2-(4-Methoxybenzoyl)cyclohexanone (CAS 99486-47-2) is a chemical compound with molecular formula C14H16O3 and molecular weight 232.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxybenzoyl)cyclohexan-1-one
Also Known As: 2-(4-methoxybenzoyl)cyclohexanone, 2-(4-methoxybenzoyl)cyclohexan-1-one, 2-(p-Methoxybenzoyl)cyclohexanone, 2-(4-methoxybenzoyl)-cyclohexanone, 2-[(4-methoxyphenyl)carbonyl]cyclohexanone
| Molecular Formula | C14H16O3 |
|---|---|
| Molecular Weight | 232.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.10994 |
| Heavy Atoms | 17 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 99486-47-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)C2CCCCC2=O |
| InChIKey | SYMNQDJTFGCPSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Methoxybenzoyl)cyclohexanone (CAS 99486-47-2), with molecular formula C14H16O3 and molecular weight 232.11 g/mol. IUPAC: 2-(4-methoxybenzoyl)cyclohexan-1-one.
Chemical Property Profile of 2-(4-Methoxybenzoyl)cyclohexanone
Property Insights of 2-(4-Methoxybenzoyl)cyclohexanone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methoxybenzoyl)cyclohexanone. With a topological polar surface area (TPSA) of 43.4 Ų, 2-(4-Methoxybenzoyl)cyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methoxybenzoyl)cyclohexanone has 0 hydrogen bond donor(s) and 3 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-(4-Methoxybenzoyl)cyclohexanone?
The CAS number of 2-(4-Methoxybenzoyl)cyclohexanone is 99486-47-2.
What is the molecular formula of 2-(4-Methoxybenzoyl)cyclohexanone?
The molecular formula of 2-(4-Methoxybenzoyl)cyclohexanone is C14H16O3.
What is the molecular weight of 2-(4-Methoxybenzoyl)cyclohexanone?
The molecular weight of 2-(4-Methoxybenzoyl)cyclohexanone is 232.11 g/mol.
Where can I buy 2-(4-Methoxybenzoyl)cyclohexanone?
You can request a quote for 2-(4-Methoxybenzoyl)cyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methoxybenzoyl)cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methoxybenzoyl)cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.