![2-[(3,5-Dimethyl-4-isoxazolyl)methyl]cyclohexanone structure](/static/products/1978/19788-40-0.webp)
2-[(3,5-Dimethyl-4-isoxazolyl)methyl]cyclohexanone
TL;DR: 2-[(3,5-Dimethyl-4-isoxazolyl)methyl]cyclohexanone (CAS 19788-40-0) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclohexan-1-one
Also Known As: 2-[(3,5-Dimethyl-4-isoxazolyl)methyl]cyclohexanone, 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclohexan-1-one, 2-(3,5-dimethyl-4-isoxazolylmethyl)cyclohexanone, Cyclohexanone, 2-[(3,5-dimethyl-4-isoxazolyl)methyl]-, 2-(3,5-dimethyl-isoxazol-4-ylmethyl)-cyclohexanone
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 19788-40-0 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)CC2CCCCC2=O |
| InChIKey | OJARMPVCHPMKQI-UHFFFAOYSA-N |
Product Overview
2-[(3,5-Dimethyl-4-isoxazolyl)methyl]cyclohexanone (CAS 19788-40-0), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclohexan-1-one.
Chemical Property Profile of 2-[(3,5-Dimethyl-4-isoxazolyl)methyl]cyclohexanone
Property Insights of 2-[(3,5-Dimethyl-4-isoxazolyl)methyl]cyclohexanone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3,5-Dimethyl-4-isoxazolyl)methyl]cyclohexanone. With a topological polar surface area (TPSA) of 43.1 Ų, 2-[(3,5-Dimethyl-4-isoxazolyl)methyl]cyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3,5-Dimethyl-4-isoxazolyl)methyl]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-[(3,5-Dimethyl-4-isoxazolyl)methyl]cyclohexanone?
The CAS number of 2-[(3,5-Dimethyl-4-isoxazolyl)methyl]cyclohexanone is 19788-40-0.
What is the molecular formula of 2-[(3,5-Dimethyl-4-isoxazolyl)methyl]cyclohexanone?
The molecular formula of 2-[(3,5-Dimethyl-4-isoxazolyl)methyl]cyclohexanone is C12H17NO2.
What is the molecular weight of 2-[(3,5-Dimethyl-4-isoxazolyl)methyl]cyclohexanone?
The molecular weight of 2-[(3,5-Dimethyl-4-isoxazolyl)methyl]cyclohexanone is 207.13 g/mol.
Where can I buy 2-[(3,5-Dimethyl-4-isoxazolyl)methyl]cyclohexanone?
You can request a quote for 2-[(3,5-Dimethyl-4-isoxazolyl)methyl]cyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3,5-Dimethyl-4-isoxazolyl)methyl]cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,5-Dimethyl-4-isoxazolyl)methyl]cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.