3-(2,5-Dihydro-2,4-dimethyl-5-oxo-1-phenyl-1H-pyrazol-3-yl)-2-propenoic acid
TL;DR: 3-(2,5-Dihydro-2,4-dimethyl-5-oxo-1-phenyl-1H-pyrazol-3-yl)-2-propenoic acid (CAS 885461-64-3) is a chemical compound with molecular formula C14H14N2O3 and molecular weight 258.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)prop-2-enoic acid
Also Known As: 3-(2,4-dimethyl-5-oxo-1-phenyl-pyrazol-3-yl)prop-2-enoic Acid, 3-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)prop-2-enoic acid, 3-(2,5-Dihydro-2,4-dimethyl-5-oxo-1-phenyl-1H-pyrazol-3-yl)-2-propenoic acid, (2E)-3-(2,4-DIMETHYL-5-OXO-1-PHENYL-2,5-DIHYDRO-1H-PYRAZOL-3-YL)ACRYLIC ACID, 3-(2,4-Dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)prop-2-enoic acid
| Molecular Formula | C14H14N2O3 |
|---|---|
| Molecular Weight | 258.10 g/mol |
| LogP | 1.58222 |
| Topological Polar Surface Area | 64.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.10043 |
| Heavy Atoms | 19 |
| Complexity | 693.47144 |
Chemical Identifiers
| CAS Number | 885461-64-3 |
|---|---|
| SMILES | CC1=C(N(N(C1=O)C2=CC=CC=C2)C)C=CC(=O)O |
Product Overview
3-(2,5-Dihydro-2,4-dimethyl-5-oxo-1-phenyl-1H-pyrazol-3-yl)-2-propenoic acid (CAS 885461-64-3), with molecular formula C14H14N2O3 and molecular weight 258.10 g/mol. IUPAC: 3-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)prop-2-enoic acid.
Chemical Property Profile of 3-(2,5-Dihydro-2,4-dimethyl-5-oxo-1-phenyl-1H-pyrazol-3-yl)-2-propenoic acid
Property Insights of 3-(2,5-Dihydro-2,4-dimethyl-5-oxo-1-phenyl-1H-pyrazol-3-yl)-2-propenoic acid
The XLogP value of 1.58222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,5-Dihydro-2,4-dimethyl-5-oxo-1-phenyl-1H-pyrazol-3-yl)-2-propenoic acid. The TPSA of 64.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,5-Dihydro-2,4-dimethyl-5-oxo-1-phenyl-1H-pyrazol-3-yl)-2-propenoic acid. Following Lipinski's Rule of Five, 3-(2,5-Dihydro-2,4-dimethyl-5-oxo-1-phenyl-1H-pyrazol-3-yl)-2-propenoic acid has 1 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 3-(2,5-Dihydro-2,4-dimethyl-5-oxo-1-phenyl-1H-pyrazol-3-yl)-2-propenoic acid?
The CAS number of 3-(2,5-Dihydro-2,4-dimethyl-5-oxo-1-phenyl-1H-pyrazol-3-yl)-2-propenoic acid is 885461-64-3.
What is the molecular formula of 3-(2,5-Dihydro-2,4-dimethyl-5-oxo-1-phenyl-1H-pyrazol-3-yl)-2-propenoic acid?
The molecular formula of 3-(2,5-Dihydro-2,4-dimethyl-5-oxo-1-phenyl-1H-pyrazol-3-yl)-2-propenoic acid is C14H14N2O3.
What is the molecular weight of 3-(2,5-Dihydro-2,4-dimethyl-5-oxo-1-phenyl-1H-pyrazol-3-yl)-2-propenoic acid?
The molecular weight of 3-(2,5-Dihydro-2,4-dimethyl-5-oxo-1-phenyl-1H-pyrazol-3-yl)-2-propenoic acid is 258.10 g/mol.
Where can I buy 3-(2,5-Dihydro-2,4-dimethyl-5-oxo-1-phenyl-1H-pyrazol-3-yl)-2-propenoic acid?
You can request a quote for 3-(2,5-Dihydro-2,4-dimethyl-5-oxo-1-phenyl-1H-pyrazol-3-yl)-2-propenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,5-Dihydro-2,4-dimethyl-5-oxo-1-phenyl-1H-pyrazol-3-yl)-2-propenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,5-Dihydro-2,4-dimethyl-5-oxo-1-phenyl-1H-pyrazol-3-yl)-2-propenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.