1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-phenoxyethanone
TL;DR: 1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-phenoxyethanone (CAS 36140-85-9) is a chemical compound with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5-dimethylpyrazol-1-yl)-2-phenoxyethanone
Also Known As: TimTec1_000317, 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-phenoxyethanone, 3,5-dimethyl-1-(phenoxyacetyl)-1H-pyrazole, BAS 00268404, 1-(3,5-dimethylpyrazol-1-yl)-2-phenoxyethanone
| Molecular Formula | C13H14N2O2 |
|---|---|
| Molecular Weight | 230.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.10553 |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 36140-85-9 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)COC2=CC=CC=C2)C |
| InChIKey | BGTULJNJTLEWGZ-UHFFFAOYSA-N |
Product Overview
1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-phenoxyethanone (CAS 36140-85-9), with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol. IUPAC: 1-(3,5-dimethylpyrazol-1-yl)-2-phenoxyethanone.
Chemical Property Profile of 1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-phenoxyethanone
Property Insights of 1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-phenoxyethanone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-phenoxyethanone. With a topological polar surface area (TPSA) of 44.1 Ų, 1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-phenoxyethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-phenoxyethanone 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 1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-phenoxyethanone?
The CAS number of 1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-phenoxyethanone is 36140-85-9.
What is the molecular formula of 1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-phenoxyethanone?
The molecular formula of 1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-phenoxyethanone is C13H14N2O2.
What is the molecular weight of 1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-phenoxyethanone?
The molecular weight of 1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-phenoxyethanone is 230.11 g/mol.
Where can I buy 1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-phenoxyethanone?
You can request a quote for 1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-phenoxyethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-phenoxyethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-phenoxyethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.