(E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoic acid
TL;DR: (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoic acid (CAS 27268-07-1) is a chemical compound with molecular formula C13H11ClN2O2 and molecular weight 262.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoic acid
Also Known As: (2e)-3-(5-Chloro-3-methyl-1-phenyl-1h-pyrazol-4-yl)prop-2-enoic acid, 3-(5-Chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-acrylic acid, (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoic acid, 3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoic Acid, (E)-3-(5-Chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)acrylic acid
| Molecular Formula | C13H11ClN2O2 |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 2.93192 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.0509 |
| Heavy Atoms | 18 |
| Complexity | 602.95386 |
Chemical Identifiers
| CAS Number | 27268-07-1 |
|---|---|
| SMILES | CC1=NN(C(=C1/C=C/C(=O)O)Cl)C2=CC=CC=C2 |
Product Overview
(E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoic acid (CAS 27268-07-1), with molecular formula C13H11ClN2O2 and molecular weight 262.05 g/mol. IUPAC: (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoic acid.
Chemical Property Profile of (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoic acid
Property Insights of (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoic acid
The XLogP value of 2.93192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoic acid. With a topological polar surface area (TPSA) of 55.12 Ų, (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-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 (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoic acid?
The CAS number of (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoic acid is 27268-07-1.
What is the molecular formula of (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoic acid?
The molecular formula of (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoic acid is C13H11ClN2O2.
What is the molecular weight of (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoic acid?
The molecular weight of (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoic acid is 262.05 g/mol.
Where can I buy (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoic acid?
You can request a quote for (E)-3-(5-chloro-3-methyl-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 (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.