ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-nitrophenoxy)pyrimidine-5-carboxylate
TL;DR: ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-nitrophenoxy)pyrimidine-5-carboxylate (CAS 1002008-23-2) is a chemical compound with molecular formula C18H17N5O5 and molecular weight 383.12 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-nitrophenoxy)pyrimidine-5-carboxylate
Also Known As: ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-nitrophenoxy)pyrimidine-5-carboxylate, ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-nitrophenoxy)pyrimidine-5-carboxylate
| Molecular Formula | C18H17N5O5 |
|---|---|
| Molecular Weight | 383.12 g/mol |
| LogP | 3.15634 |
| Topological Polar Surface Area | 122.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.12296 |
| Heavy Atoms | 28 |
| Complexity | 1029.3456 |
Chemical Identifiers
| CAS Number | 1002008-23-2 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1OC2=CC=C(C=C2)[N+](=O)[O-])N3C(=CC(=N3)C)C |
Product Overview
ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-nitrophenoxy)pyrimidine-5-carboxylate (CAS 1002008-23-2), with molecular formula C18H17N5O5 and molecular weight 383.12 g/mol. IUPAC: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-nitrophenoxy)pyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-nitrophenoxy)pyrimidine-5-carboxylate
Property Insights of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-nitrophenoxy)pyrimidine-5-carboxylate
The XLogP value of 3.15634 indicates that ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-nitrophenoxy)pyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.27 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-nitrophenoxy)pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-nitrophenoxy)pyrimidine-5-carboxylate has 0 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 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-nitrophenoxy)pyrimidine-5-carboxylate?
The CAS number of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-nitrophenoxy)pyrimidine-5-carboxylate is 1002008-23-2.
What is the molecular formula of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-nitrophenoxy)pyrimidine-5-carboxylate?
The molecular formula of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-nitrophenoxy)pyrimidine-5-carboxylate is C18H17N5O5.
What is the molecular weight of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-nitrophenoxy)pyrimidine-5-carboxylate?
The molecular weight of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-nitrophenoxy)pyrimidine-5-carboxylate is 383.12 g/mol.
Where can I buy ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-nitrophenoxy)pyrimidine-5-carboxylate?
You can request a quote for ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-nitrophenoxy)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-nitrophenoxy)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-nitrophenoxy)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.