ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-ethoxyphenyl)amino)pyrimidine-5-carboxylate
TL;DR: ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-ethoxyphenyl)amino)pyrimidine-5-carboxylate (CAS 1004018-77-2) is a chemical compound with molecular formula C20H23N5O3 and molecular weight 381.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-ethoxyanilino)pyrimidine-5-carboxylate
Also Known As: ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-ethoxyphenyl)amino)pyrimidine-5-carboxylate, ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-[(4-ethoxyphenyl)amino]pyrimidine-5-carboxylate, ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-ethoxyanilino)pyrimidine-5-carboxylate
| Molecular Formula | C20H23N5O3 |
|---|---|
| Molecular Weight | 381.18 g/mol |
| LogP | 3.59814 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 381.18008 |
| Heavy Atoms | 28 |
| Complexity | 966.47253 |
Chemical Identifiers
| CAS Number | 1004018-77-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)OCC)N3C(=CC(=N3)C)C |
Product Overview
ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-ethoxyphenyl)amino)pyrimidine-5-carboxylate (CAS 1004018-77-2), with molecular formula C20H23N5O3 and molecular weight 381.18 g/mol. IUPAC: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-ethoxyanilino)pyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-ethoxyphenyl)amino)pyrimidine-5-carboxylate
Property Insights of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-ethoxyphenyl)amino)pyrimidine-5-carboxylate
The XLogP value of 3.59814 indicates that ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-ethoxyphenyl)amino)pyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-ethoxyphenyl)amino)pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-ethoxyphenyl)amino)pyrimidine-5-carboxylate has 1 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 ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-ethoxyphenyl)amino)pyrimidine-5-carboxylate?
The CAS number of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-ethoxyphenyl)amino)pyrimidine-5-carboxylate is 1004018-77-2.
What is the molecular formula of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-ethoxyphenyl)amino)pyrimidine-5-carboxylate?
The molecular formula of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-ethoxyphenyl)amino)pyrimidine-5-carboxylate is C20H23N5O3.
What is the molecular weight of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-ethoxyphenyl)amino)pyrimidine-5-carboxylate?
The molecular weight of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-ethoxyphenyl)amino)pyrimidine-5-carboxylate is 381.18 g/mol.
Where can I buy ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-ethoxyphenyl)amino)pyrimidine-5-carboxylate?
You can request a quote for ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-ethoxyphenyl)amino)pyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-ethoxyphenyl)amino)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-ethoxyphenyl)amino)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.