Phenyl-(1,3,5-trimethylpyrazol-4-yl)methanone
TL;DR: Phenyl-(1,3,5-trimethylpyrazol-4-yl)methanone (CAS 31539-68-1) is a chemical compound with molecular formula C13H14N2O and molecular weight 214.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl-(1,3,5-trimethylpyrazol-4-yl)methanone
Also Known As: PHENYL(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)METHANONE, Phenyl-(1,3,5-trimethylpyrazol-4-yl)methanone, 4-Benzoyl-1,3,5-trimethyl-1H-pyrazole, CHEMBRDG-BB 4002426, 1.3.5-Trimethyl-4-benzoyl-pyrazol
| Molecular Formula | C13H14N2O |
|---|---|
| Molecular Weight | 214.11 g/mol |
| LogP | 2.26794 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.11061 |
| Heavy Atoms | 16 |
| Complexity | 526.36566 |
Chemical Identifiers
| CAS Number | 31539-68-1 |
|---|---|
| SMILES | CC1=C(C(=NN1C)C)C(=O)C2=CC=CC=C2 |
Product Overview
Phenyl-(1,3,5-trimethylpyrazol-4-yl)methanone (CAS 31539-68-1), with molecular formula C13H14N2O and molecular weight 214.11 g/mol. IUPAC: phenyl-(1,3,5-trimethylpyrazol-4-yl)methanone.
Chemical Property Profile of Phenyl-(1,3,5-trimethylpyrazol-4-yl)methanone
Property Insights of Phenyl-(1,3,5-trimethylpyrazol-4-yl)methanone
The XLogP value of 2.26794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl-(1,3,5-trimethylpyrazol-4-yl)methanone. With a topological polar surface area (TPSA) of 34.89 Ų, Phenyl-(1,3,5-trimethylpyrazol-4-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl-(1,3,5-trimethylpyrazol-4-yl)methanone has 0 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 Phenyl-(1,3,5-trimethylpyrazol-4-yl)methanone?
The CAS number of Phenyl-(1,3,5-trimethylpyrazol-4-yl)methanone is 31539-68-1.
What is the molecular formula of Phenyl-(1,3,5-trimethylpyrazol-4-yl)methanone?
The molecular formula of Phenyl-(1,3,5-trimethylpyrazol-4-yl)methanone is C13H14N2O.
What is the molecular weight of Phenyl-(1,3,5-trimethylpyrazol-4-yl)methanone?
The molecular weight of Phenyl-(1,3,5-trimethylpyrazol-4-yl)methanone is 214.11 g/mol.
Where can I buy Phenyl-(1,3,5-trimethylpyrazol-4-yl)methanone?
You can request a quote for Phenyl-(1,3,5-trimethylpyrazol-4-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl-(1,3,5-trimethylpyrazol-4-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Phenyl-(1,3,5-trimethylpyrazol-4-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.