![4-[[2-cyano-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid structure](/static/products/1007/1007186-68-6.webp)
4-[[2-cyano-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid
TL;DR: 4-[[2-cyano-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid (CAS 1007186-68-6) is a chemical compound with molecular formula C25H17N5O3 and molecular weight 435.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-cyano-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid
Also Known As: 4-[[2-cyano-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid, 4-[[2-cyano-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoyl]amino]benzoic Acid, 4-{2-cyano-3-[1-phenyl-3-(pyridin-3-yl)-1H-pyrazol-4-yl]prop-2-enamido}benzoic acid
| Molecular Formula | C25H17N5O3 |
|---|---|
| Molecular Weight | 435.13 g/mol |
| LogP | 4.17818 |
| Topological Polar Surface Area | 120.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.13315 |
| Heavy Atoms | 33 |
| Complexity | 1369.3269 |
Chemical Identifiers
| CAS Number | 1007186-68-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C=C(C#N)C(=O)NC4=CC=C(C=C4)C(=O)O |
Product Overview
4-[[2-cyano-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid (CAS 1007186-68-6), with molecular formula C25H17N5O3 and molecular weight 435.13 g/mol. IUPAC: 4-[[2-cyano-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid.
Chemical Property Profile of 4-[[2-cyano-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid
Property Insights of 4-[[2-cyano-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid
The XLogP value of 4.17818 indicates that 4-[[2-cyano-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[2-cyano-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid. Following Lipinski's Rule of Five, 4-[[2-cyano-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid has 2 hydrogen bond donor(s) and 5 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 4-[[2-cyano-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid?
The CAS number of 4-[[2-cyano-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid is 1007186-68-6.
What is the molecular formula of 4-[[2-cyano-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid?
The molecular formula of 4-[[2-cyano-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid is C25H17N5O3.
What is the molecular weight of 4-[[2-cyano-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid?
The molecular weight of 4-[[2-cyano-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid is 435.13 g/mol.
Where can I buy 4-[[2-cyano-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid?
You can request a quote for 4-[[2-cyano-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[2-cyano-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[2-cyano-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.