2-(3,5-dimethyl-1H-pyrazol-1-yl)cyclohexyl benzoate
TL;DR: 2-(3,5-dimethyl-1H-pyrazol-1-yl)cyclohexyl benzoate (CAS 908230-33-1) is a chemical compound with molecular formula C18H22N2O2 and molecular weight 298.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,5-dimethylpyrazol-1-yl)cyclohexyl] benzoate
Also Known As: 2-(3,5-dimethyl-1H-pyrazol-1-yl)cyclohexyl benzoate, [2-(3,5-dimethylpyrazol-1-yl)cyclohexyl] benzoate
| Molecular Formula | C18H22N2O2 |
|---|---|
| Molecular Weight | 298.17 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.16812 |
| Heavy Atoms | 22 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 908230-33-1 |
|---|---|
| SMILES | CC1=CC(=NN1C2CCCCC2OC(=O)C3=CC=CC=C3)C |
| InChIKey | HERYUPICABEHNB-UHFFFAOYSA-N |
Product Overview
2-(3,5-dimethyl-1H-pyrazol-1-yl)cyclohexyl benzoate (CAS 908230-33-1), with molecular formula C18H22N2O2 and molecular weight 298.17 g/mol. IUPAC: [2-(3,5-dimethylpyrazol-1-yl)cyclohexyl] benzoate.
Chemical Property Profile of 2-(3,5-dimethyl-1H-pyrazol-1-yl)cyclohexyl benzoate
Property Insights of 2-(3,5-dimethyl-1H-pyrazol-1-yl)cyclohexyl benzoate
The XLogP value of 3.8 indicates that 2-(3,5-dimethyl-1H-pyrazol-1-yl)cyclohexyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, 2-(3,5-dimethyl-1H-pyrazol-1-yl)cyclohexyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,5-dimethyl-1H-pyrazol-1-yl)cyclohexyl benzoate 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-1H-pyrazol-1-yl)cyclohexyl benzoate?
The CAS number of 2-(3,5-dimethyl-1H-pyrazol-1-yl)cyclohexyl benzoate is 908230-33-1.
What is the molecular formula of 2-(3,5-dimethyl-1H-pyrazol-1-yl)cyclohexyl benzoate?
The molecular formula of 2-(3,5-dimethyl-1H-pyrazol-1-yl)cyclohexyl benzoate is C18H22N2O2.
What is the molecular weight of 2-(3,5-dimethyl-1H-pyrazol-1-yl)cyclohexyl benzoate?
The molecular weight of 2-(3,5-dimethyl-1H-pyrazol-1-yl)cyclohexyl benzoate is 298.17 g/mol.
Where can I buy 2-(3,5-dimethyl-1H-pyrazol-1-yl)cyclohexyl benzoate?
You can request a quote for 2-(3,5-dimethyl-1H-pyrazol-1-yl)cyclohexyl benzoate 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-1H-pyrazol-1-yl)cyclohexyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-dimethyl-1H-pyrazol-1-yl)cyclohexyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.