![ethyl 6-methyl-4-{3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate structure](/static/products/955/955857-27-9.png)
ethyl 6-methyl-4-{3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
TL;DR: ethyl 6-methyl-4-{3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 955857-27-9) is a chemical compound with molecular formula C29H34N4O4 and molecular weight 502.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-4-[3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ethyl 6-methyl-4-{3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 4-(3-(4-(isopentyloxy)-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 6-methyl-4-[3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C29H34N4O4 |
|---|---|
| Molecular Weight | 502.26 g/mol |
| LogP | 5.46362 |
| Topological Polar Surface Area | 94.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 502.258 |
| Heavy Atoms | 37 |
| Complexity | 1310.6958 |
Chemical Identifiers
| CAS Number | 955857-27-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)NC1C2=CN(N=C2C3=CC(=C(C=C3)OCCC(C)C)C)C4=CC=CC=C4)C |
Product Overview
ethyl 6-methyl-4-{3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 955857-27-9), with molecular formula C29H34N4O4 and molecular weight 502.26 g/mol. IUPAC: ethyl 6-methyl-4-[3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 6-methyl-4-{3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Property Insights of ethyl 6-methyl-4-{3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
The XLogP value of 5.46362 indicates that ethyl 6-methyl-4-{3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.48 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-methyl-4-{3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 6-methyl-4-{3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 6-methyl-4-{3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The CAS number of ethyl 6-methyl-4-{3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 955857-27-9.
What is the molecular formula of ethyl 6-methyl-4-{3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular formula of ethyl 6-methyl-4-{3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is C29H34N4O4.
What is the molecular weight of ethyl 6-methyl-4-{3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular weight of ethyl 6-methyl-4-{3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 502.26 g/mol.
Where can I buy ethyl 6-methyl-4-{3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
You can request a quote for ethyl 6-methyl-4-{3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-oxo-1,2,3,4-tetrahydropyrimidine-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 6-methyl-4-{3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-methyl-4-{3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.