ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((2-((4-fluorophenyl)carbamoyl)phenyl)amino)pyrimidine-5-carboxylate
TL;DR: ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((2-((4-fluorophenyl)carbamoyl)phenyl)amino)pyrimidine-5-carboxylate (CAS 879473-05-9) is a chemical compound with molecular formula C25H23FN6O3 and molecular weight 474.18 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-[2-[(4-fluorophenyl)carbamoyl]anilino]pyrimidine-5-carboxylate
Also Known As: ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((2-((4-fluorophenyl)carbamoyl)phenyl)amino)pyrimidine-5-carboxylate, ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-({2-[(4-fluorophenyl)carbamoyl]phenyl}amino)pyrimidine-5-carboxylate, ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[2-[(4-fluorophenyl)carbamoyl]anilino]pyrimidine-5-carboxylate
| Molecular Formula | C25H23FN6O3 |
|---|---|
| Molecular Weight | 474.18 g/mol |
| LogP | 4.59084 |
| Topological Polar Surface Area | 111.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 474.18158 |
| Heavy Atoms | 35 |
| Complexity | 1384.4751 |
Chemical Identifiers
| CAS Number | 879473-05-9 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)F)N4C(=CC(=N4)C)C |
Product Overview
ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((2-((4-fluorophenyl)carbamoyl)phenyl)amino)pyrimidine-5-carboxylate (CAS 879473-05-9), with molecular formula C25H23FN6O3 and molecular weight 474.18 g/mol. IUPAC: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[2-[(4-fluorophenyl)carbamoyl]anilino]pyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((2-((4-fluorophenyl)carbamoyl)phenyl)amino)pyrimidine-5-carboxylate
Property Insights of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((2-((4-fluorophenyl)carbamoyl)phenyl)amino)pyrimidine-5-carboxylate
The XLogP value of 4.59084 indicates that ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((2-((4-fluorophenyl)carbamoyl)phenyl)amino)pyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.03 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((2-((4-fluorophenyl)carbamoyl)phenyl)amino)pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((2-((4-fluorophenyl)carbamoyl)phenyl)amino)pyrimidine-5-carboxylate 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 ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((2-((4-fluorophenyl)carbamoyl)phenyl)amino)pyrimidine-5-carboxylate?
The CAS number of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((2-((4-fluorophenyl)carbamoyl)phenyl)amino)pyrimidine-5-carboxylate is 879473-05-9.
What is the molecular formula of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((2-((4-fluorophenyl)carbamoyl)phenyl)amino)pyrimidine-5-carboxylate?
The molecular formula of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((2-((4-fluorophenyl)carbamoyl)phenyl)amino)pyrimidine-5-carboxylate is C25H23FN6O3.
What is the molecular weight of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((2-((4-fluorophenyl)carbamoyl)phenyl)amino)pyrimidine-5-carboxylate?
The molecular weight of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((2-((4-fluorophenyl)carbamoyl)phenyl)amino)pyrimidine-5-carboxylate is 474.18 g/mol.
Where can I buy ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((2-((4-fluorophenyl)carbamoyl)phenyl)amino)pyrimidine-5-carboxylate?
You can request a quote for ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((2-((4-fluorophenyl)carbamoyl)phenyl)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-((2-((4-fluorophenyl)carbamoyl)phenyl)amino)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((2-((4-fluorophenyl)carbamoyl)phenyl)amino)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.