phenyl-(3,5,5-trimethyl-4H-pyrazol-1-yl)methanone
TL;DR: phenyl-(3,5,5-trimethyl-4H-pyrazol-1-yl)methanone (CAS 4590-79-8) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl-(3,5,5-trimethyl-4H-pyrazol-1-yl)methanone
Also Known As: phenyl-(3,5,5-trimethyl-4H-pyrazol-1-yl)methanone, BAS 00399730, 1-benzoyl-3,5,5-trimethyl-4,5-dihydro-1H-pyrazole, AS-662/40002176, phenyl(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)methanone
| Molecular Formula | C13H16N2O |
|---|---|
| Molecular Weight | 216.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.12627 |
| Heavy Atoms | 16 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 4590-79-8 |
|---|---|
| SMILES | CC1=NN(C(C1)(C)C)C(=O)C2=CC=CC=C2 |
| InChIKey | VNANOPQDFPYYLB-UHFFFAOYSA-N |
Product Overview
phenyl-(3,5,5-trimethyl-4H-pyrazol-1-yl)methanone (CAS 4590-79-8), with molecular formula C13H16N2O and molecular weight 216.13 g/mol. IUPAC: phenyl-(3,5,5-trimethyl-4H-pyrazol-1-yl)methanone.
Chemical Property Profile of phenyl-(3,5,5-trimethyl-4H-pyrazol-1-yl)methanone
Property Insights of phenyl-(3,5,5-trimethyl-4H-pyrazol-1-yl)methanone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for phenyl-(3,5,5-trimethyl-4H-pyrazol-1-yl)methanone. With a topological polar surface area (TPSA) of 32.7 Ų, phenyl-(3,5,5-trimethyl-4H-pyrazol-1-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, phenyl-(3,5,5-trimethyl-4H-pyrazol-1-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-(3,5,5-trimethyl-4H-pyrazol-1-yl)methanone?
The CAS number of phenyl-(3,5,5-trimethyl-4H-pyrazol-1-yl)methanone is 4590-79-8.
What is the molecular formula of phenyl-(3,5,5-trimethyl-4H-pyrazol-1-yl)methanone?
The molecular formula of phenyl-(3,5,5-trimethyl-4H-pyrazol-1-yl)methanone is C13H16N2O.
What is the molecular weight of phenyl-(3,5,5-trimethyl-4H-pyrazol-1-yl)methanone?
The molecular weight of phenyl-(3,5,5-trimethyl-4H-pyrazol-1-yl)methanone is 216.13 g/mol.
Where can I buy phenyl-(3,5,5-trimethyl-4H-pyrazol-1-yl)methanone?
You can request a quote for phenyl-(3,5,5-trimethyl-4H-pyrazol-1-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-(3,5,5-trimethyl-4H-pyrazol-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for phenyl-(3,5,5-trimethyl-4H-pyrazol-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.