(2E)-1-(4-methylphenyl)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one
TL;DR: (2E)-1-(4-methylphenyl)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one (CAS 1005556-15-9) is a chemical compound with molecular formula C14H14N2O and molecular weight 226.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)prop-2-en-1-one
Also Known As: (2E)-1-(4-methylphenyl)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one, 3-(1-Methyl-1H-pyrazol-4-yl)-1-p-tolyl-propenone, (E)-1-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)prop-2-en-1-one, 1-(1-Methyl-1H-pyrazol-4-yl)-3-(p-tolyl)prop-2-en-1-one, (2E)-3-(1-methyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)prop-2-en-1-one
| Molecular Formula | C14H14N2O |
|---|---|
| Molecular Weight | 226.11 g/mol |
| LogP | 2.62462 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.11061 |
| Heavy Atoms | 17 |
| Complexity | 549.85614 |
Chemical Identifiers
| CAS Number | 1005556-15-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)/C=C/C2=CN(N=C2)C |
Product Overview
(2E)-1-(4-methylphenyl)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one (CAS 1005556-15-9), with molecular formula C14H14N2O and molecular weight 226.11 g/mol. IUPAC: (E)-1-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)prop-2-en-1-one.
Chemical Property Profile of (2E)-1-(4-methylphenyl)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one
Property Insights of (2E)-1-(4-methylphenyl)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one
The XLogP value of 2.62462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-1-(4-methylphenyl)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one. With a topological polar surface area (TPSA) of 34.89 Ų, (2E)-1-(4-methylphenyl)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-1-(4-methylphenyl)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one 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 (2E)-1-(4-methylphenyl)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one?
The CAS number of (2E)-1-(4-methylphenyl)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one is 1005556-15-9.
What is the molecular formula of (2E)-1-(4-methylphenyl)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one?
The molecular formula of (2E)-1-(4-methylphenyl)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one is C14H14N2O.
What is the molecular weight of (2E)-1-(4-methylphenyl)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one?
The molecular weight of (2E)-1-(4-methylphenyl)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one is 226.11 g/mol.
Where can I buy (2E)-1-(4-methylphenyl)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one?
You can request a quote for (2E)-1-(4-methylphenyl)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-1-(4-methylphenyl)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-1-(4-methylphenyl)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.