![Ethyl 6-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-2-oxo-5-pyrimidinecarboxylate structure](/static/products/956/956786-54-2.png)
Ethyl 6-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-2-oxo-5-pyrimidinecarboxylate
TL;DR: Ethyl 6-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-2-oxo-5-pyrimidinecarboxylate (CAS 956786-54-2) is a chemical compound with molecular formula C20H23N5O6 and molecular weight 429.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: Ethyl 6-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-2-oxo-5-pyrimidinecarboxylate, ethyl 6-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C20H23N5O6 |
|---|---|
| Molecular Weight | 429.16 g/mol |
| LogP | 2.28804 |
| Topological Polar Surface Area | 137.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.16483 |
| Heavy Atoms | 31 |
| Complexity | 1056.7578 |
Chemical Identifiers
| CAS Number | 956786-54-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)CN3C(=C(C(=N3)C)[N+](=O)[O-])C |
Product Overview
Ethyl 6-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-2-oxo-5-pyrimidinecarboxylate (CAS 956786-54-2), with molecular formula C20H23N5O6 and molecular weight 429.16 g/mol. IUPAC: ethyl 6-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 6-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-2-oxo-5-pyrimidinecarboxylate
Property Insights of Ethyl 6-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-2-oxo-5-pyrimidinecarboxylate
The XLogP value of 2.28804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-2-oxo-5-pyrimidinecarboxylate. The TPSA of 137.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-2-oxo-5-pyrimidinecarboxylate. Following Lipinski's Rule of Five, Ethyl 6-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-2-oxo-5-pyrimidinecarboxylate 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 6-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-2-oxo-5-pyrimidinecarboxylate?
The CAS number of Ethyl 6-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-2-oxo-5-pyrimidinecarboxylate is 956786-54-2.
What is the molecular formula of Ethyl 6-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-2-oxo-5-pyrimidinecarboxylate?
The molecular formula of Ethyl 6-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-2-oxo-5-pyrimidinecarboxylate is C20H23N5O6.
What is the molecular weight of Ethyl 6-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-2-oxo-5-pyrimidinecarboxylate?
The molecular weight of Ethyl 6-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-2-oxo-5-pyrimidinecarboxylate is 429.16 g/mol.
Where can I buy Ethyl 6-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-2-oxo-5-pyrimidinecarboxylate?
You can request a quote for Ethyl 6-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-2-oxo-5-pyrimidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-2-oxo-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-2-oxo-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.