![3-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoic acid structure](/static/products/926/926257-80-9.png)
3-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoic acid
TL;DR: 3-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoic acid (CAS 926257-80-9) is a chemical compound with molecular formula C16H18N2O2 and molecular weight 270.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoic acid
Also Known As: 3-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoic acid, (2E)-3-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]acrylic acid, (2E)-3-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoic acid, (E)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoic acid, 3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoic Acid
| Molecular Formula | C16H18N2O2 |
|---|---|
| Molecular Weight | 270.14 g/mol |
| LogP | 2.95446 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.13684 |
| Heavy Atoms | 20 |
| Complexity | 651.8616 |
Chemical Identifiers
| CAS Number | 926257-80-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)/C=C/C(=O)O)C |
Product Overview
3-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoic acid (CAS 926257-80-9), with molecular formula C16H18N2O2 and molecular weight 270.14 g/mol. IUPAC: (E)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoic acid.
Chemical Property Profile of 3-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoic acid
Property Insights of 3-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoic acid
The XLogP value of 2.95446 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 3-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoic 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-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoic acid?
The CAS number of 3-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoic acid is 926257-80-9.
What is the molecular formula of 3-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoic acid?
The molecular formula of 3-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoic acid is C16H18N2O2.
What is the molecular weight of 3-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoic acid?
The molecular weight of 3-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoic acid is 270.14 g/mol.
Where can I buy 3-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoic acid?
You can request a quote for 3-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.