4-((2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-(ethoxycarbonyl)pyrimidin-4-yl)amino)benzoic acid
TL;DR: 4-((2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-(ethoxycarbonyl)pyrimidin-4-yl)amino)benzoic acid (CAS 1002539-02-7) is a chemical compound with molecular formula C19H19N5O4 and molecular weight 381.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(3,5-dimethylpyrazol-1-yl)-5-ethoxycarbonylpyrimidin-4-yl]amino]benzoic acid
Also Known As: 4-((2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-(ethoxycarbonyl)pyrimidin-4-yl)amino)benzoic acid, 4-[[2-(3,5-dimethylpyrazol-1-yl)-5-ethoxycarbonyl-pyrimidin-4-yl]amino]benzoic Acid, 4-[[2-(3,5-dimethylpyrazol-1-yl)-5-ethoxycarbonylpyrimidin-4-yl]amino]benzoic acid, 4-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-(ethoxycarbonyl)pyrimidin-4-yl]amino}benzoic acid
| Molecular Formula | C19H19N5O4 |
|---|---|
| Molecular Weight | 381.14 g/mol |
| LogP | 2.89764 |
| Topological Polar Surface Area | 119.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.1437 |
| Heavy Atoms | 28 |
| Complexity | 1027.3033 |
Chemical Identifiers
| CAS Number | 1002539-02-7 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)C(=O)O)N3C(=CC(=N3)C)C |
Product Overview
4-((2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-(ethoxycarbonyl)pyrimidin-4-yl)amino)benzoic acid (CAS 1002539-02-7), with molecular formula C19H19N5O4 and molecular weight 381.14 g/mol. IUPAC: 4-[[2-(3,5-dimethylpyrazol-1-yl)-5-ethoxycarbonylpyrimidin-4-yl]amino]benzoic acid.
Chemical Property Profile of 4-((2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-(ethoxycarbonyl)pyrimidin-4-yl)amino)benzoic acid
Property Insights of 4-((2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-(ethoxycarbonyl)pyrimidin-4-yl)amino)benzoic acid
The XLogP value of 2.89764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-(ethoxycarbonyl)pyrimidin-4-yl)amino)benzoic acid. The TPSA of 119.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-(ethoxycarbonyl)pyrimidin-4-yl)amino)benzoic acid. Following Lipinski's Rule of Five, 4-((2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-(ethoxycarbonyl)pyrimidin-4-yl)amino)benzoic acid has 2 hydrogen bond donor(s) and 7 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-(3,5-dimethyl-1H-pyrazol-1-yl)-5-(ethoxycarbonyl)pyrimidin-4-yl)amino)benzoic acid?
The CAS number of 4-((2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-(ethoxycarbonyl)pyrimidin-4-yl)amino)benzoic acid is 1002539-02-7.
What is the molecular formula of 4-((2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-(ethoxycarbonyl)pyrimidin-4-yl)amino)benzoic acid?
The molecular formula of 4-((2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-(ethoxycarbonyl)pyrimidin-4-yl)amino)benzoic acid is C19H19N5O4.
What is the molecular weight of 4-((2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-(ethoxycarbonyl)pyrimidin-4-yl)amino)benzoic acid?
The molecular weight of 4-((2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-(ethoxycarbonyl)pyrimidin-4-yl)amino)benzoic acid is 381.14 g/mol.
Where can I buy 4-((2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-(ethoxycarbonyl)pyrimidin-4-yl)amino)benzoic acid?
You can request a quote for 4-((2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-(ethoxycarbonyl)pyrimidin-4-yl)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-(3,5-dimethyl-1H-pyrazol-1-yl)-5-(ethoxycarbonyl)pyrimidin-4-yl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-(ethoxycarbonyl)pyrimidin-4-yl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.