3-(3,5-Dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid
TL;DR: 3-(3,5-Dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid (CAS 27268-08-2) is a chemical compound with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid
Also Known As: (2E)-3-(3,5-DIMETHYL-1-PHENYL-1H-PYRAZOL-4-YL)ACRYLIC ACID, 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid, 3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)prop-2-enoic acid, 3-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)acrylic acid, 3-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)-acrylic acid
| Molecular Formula | C14H14N2O2 |
|---|---|
| Molecular Weight | 242.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.10553 |
| Heavy Atoms | 18 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 27268-08-2 |
|---|---|
| SMILES | CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)O |
| InChIKey | KORDNSZOFTZOCA-UHFFFAOYSA-N |
Product Overview
3-(3,5-Dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid (CAS 27268-08-2), with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol. IUPAC: 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid.
Chemical Property Profile of 3-(3,5-Dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid
Property Insights of 3-(3,5-Dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,5-Dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 3-(3,5-Dimethyl-1-phenylpyrazol-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-phenylpyrazol-4-yl)prop-2-enoic 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 3-(3,5-Dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid?
The CAS number of 3-(3,5-Dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid is 27268-08-2.
What is the molecular formula of 3-(3,5-Dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid?
The molecular formula of 3-(3,5-Dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid is C14H14N2O2.
What is the molecular weight of 3-(3,5-Dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid?
The molecular weight of 3-(3,5-Dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid is 242.11 g/mol.
Where can I buy 3-(3,5-Dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid?
You can request a quote for 3-(3,5-Dimethyl-1-phenylpyrazol-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-phenylpyrazol-4-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,5-Dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.