ethyl 4-(4-ethoxycarbonylanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate
TL;DR: ethyl 4-(4-ethoxycarbonylanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate (CAS 1001624-91-4) is a chemical compound with molecular formula C20H21N5O4 and molecular weight 395.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-ethoxycarbonylanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate
Also Known As: ethyl 4-(4-ethoxycarbonylanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate, ethyl 4-((4-(ethoxycarbonyl)phenyl)amino)-2-(4-methyl-1H-pyrazol-1-yl)pyrimidine-5-carboxylate, ethyl 4-{[4-(ethoxycarbonyl)phenyl]amino}-2-(4-methyl-1H-pyrazol-1-yl)pyrimidine-5-carboxylate
| Molecular Formula | C20H21N5O4 |
|---|---|
| Molecular Weight | 395.16 g/mol |
| LogP | 3.06772 |
| Topological Polar Surface Area | 108.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 395.15936 |
| Heavy Atoms | 29 |
| Complexity | 1013.96594 |
Chemical Identifiers
| CAS Number | 1001624-91-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)OCC)N3C=C(C=N3)C |
Product Overview
ethyl 4-(4-ethoxycarbonylanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate (CAS 1001624-91-4), with molecular formula C20H21N5O4 and molecular weight 395.16 g/mol. IUPAC: ethyl 4-(4-ethoxycarbonylanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 4-(4-ethoxycarbonylanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate
Property Insights of ethyl 4-(4-ethoxycarbonylanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate
The XLogP value of 3.06772 indicates that ethyl 4-(4-ethoxycarbonylanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.23 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(4-ethoxycarbonylanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(4-ethoxycarbonylanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate has 1 hydrogen bond donor(s) and 8 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 4-(4-ethoxycarbonylanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate?
The CAS number of ethyl 4-(4-ethoxycarbonylanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate is 1001624-91-4.
What is the molecular formula of ethyl 4-(4-ethoxycarbonylanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate?
The molecular formula of ethyl 4-(4-ethoxycarbonylanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate is C20H21N5O4.
What is the molecular weight of ethyl 4-(4-ethoxycarbonylanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate?
The molecular weight of ethyl 4-(4-ethoxycarbonylanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate is 395.16 g/mol.
Where can I buy ethyl 4-(4-ethoxycarbonylanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate?
You can request a quote for ethyl 4-(4-ethoxycarbonylanilino)-2-(4-methylpyrazol-1-yl)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 4-(4-ethoxycarbonylanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(4-ethoxycarbonylanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.