![(2E)-3-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}acrylic acid structure](/static/products/102/1020050-89-8.png)
(2E)-3-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}acrylic acid
TL;DR: (2E)-3-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}acrylic acid (CAS 1020050-89-8) is a chemical compound with molecular formula C16H18N2O3 and molecular weight 286.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]prop-2-enoic acid
Also Known As: (2E)-3-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}acrylic acid, 1-(4-hydroxy-4-phenylbutyryl)piperidine, (2E)-3-(3-[(3,5-Dimethyl-1h-pyrazol-1-yl)methyl]-4-methoxyphenyl)acrylic acid, (2E)-3-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}prop-2-enoic acid, (E)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]prop-2-enoic acid
| Molecular Formula | C16H18N2O3 |
|---|---|
| Molecular Weight | 286.13 g/mol |
| LogP | 2.65464 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.13174 |
| Heavy Atoms | 21 |
| Complexity | 686.8257 |
Chemical Identifiers
| CAS Number | 1020050-89-8 |
|---|---|
| SMILES | CC1=CC(=NN1CC2=C(C=CC(=C2)/C=C/C(=O)O)OC)C |
Product Overview
(2E)-3-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}acrylic acid (CAS 1020050-89-8), with molecular formula C16H18N2O3 and molecular weight 286.13 g/mol. IUPAC: (E)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]prop-2-enoic acid.
Chemical Property Profile of (2E)-3-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}acrylic acid
Property Insights of (2E)-3-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}acrylic acid
The XLogP value of 2.65464 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}acrylic acid. The TPSA of 64.35 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}acrylic acid. Following Lipinski's Rule of Five, (2E)-3-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}acrylic acid has 1 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 (2E)-3-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}acrylic acid?
The CAS number of (2E)-3-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}acrylic acid is 1020050-89-8.
What is the molecular formula of (2E)-3-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}acrylic acid?
The molecular formula of (2E)-3-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}acrylic acid is C16H18N2O3.
What is the molecular weight of (2E)-3-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}acrylic acid?
The molecular weight of (2E)-3-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}acrylic acid is 286.13 g/mol.
Where can I buy (2E)-3-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}acrylic acid?
You can request a quote for (2E)-3-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.