![ethyl 5-{2-[2-(4-methoxyanilino)-2-oxoacetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylate structure](/static/products/4777/477709-29-8.webp)
ethyl 5-{2-[2-(4-methoxyanilino)-2-oxoacetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylate
TL;DR: ethyl 5-{2-[2-(4-methoxyanilino)-2-oxoacetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylate (CAS 477709-29-8) is a chemical compound with molecular formula C25H22N4O5 and molecular weight 458.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[2-[2-(4-methoxyanilino)-2-oxoacetyl]pyrrol-1-yl]-1-phenylpyrazole-4-carboxylate
Also Known As: ethyl 5-{2-[2-(4-methoxyanilino)-2-oxoacetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylate, ethyl 5-[2-[2-(4-methoxyanilino)-2-oxoacetyl]pyrrol-1-yl]-1-phenylpyrazole-4-carboxylate, ethyl 5-(2-{[(4-methoxyphenyl)carbamoyl]carbonyl}-1H-pyrrol-1-yl)-1-phenyl-1H-pyrazole-4-carboxylate, ethyl5-(2-{[(4-methoxyphenyl)carbamoyl]carbonyl}-1H-pyrrol-1-yl)-1-phenyl-1H-pyrazole-4-carboxylate
| Molecular Formula | C25H22N4O5 |
|---|---|
| Molecular Weight | 458.16 g/mol |
| LogP | 3.6697 |
| Topological Polar Surface Area | 104.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.15903 |
| Heavy Atoms | 34 |
| Complexity | 1323.1122 |
Chemical Identifiers
| CAS Number | 477709-29-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3C(=O)C(=O)NC4=CC=C(C=C4)OC |
Product Overview
ethyl 5-{2-[2-(4-methoxyanilino)-2-oxoacetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylate (CAS 477709-29-8), with molecular formula C25H22N4O5 and molecular weight 458.16 g/mol. IUPAC: ethyl 5-[2-[2-(4-methoxyanilino)-2-oxoacetyl]pyrrol-1-yl]-1-phenylpyrazole-4-carboxylate.
Chemical Property Profile of ethyl 5-{2-[2-(4-methoxyanilino)-2-oxoacetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylate
Property Insights of ethyl 5-{2-[2-(4-methoxyanilino)-2-oxoacetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylate
The XLogP value of 3.6697 indicates that ethyl 5-{2-[2-(4-methoxyanilino)-2-oxoacetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-{2-[2-(4-methoxyanilino)-2-oxoacetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, ethyl 5-{2-[2-(4-methoxyanilino)-2-oxoacetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylate has 1 hydrogen bond donor(s) and 6 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 5-{2-[2-(4-methoxyanilino)-2-oxoacetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylate?
The CAS number of ethyl 5-{2-[2-(4-methoxyanilino)-2-oxoacetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylate is 477709-29-8.
What is the molecular formula of ethyl 5-{2-[2-(4-methoxyanilino)-2-oxoacetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylate?
The molecular formula of ethyl 5-{2-[2-(4-methoxyanilino)-2-oxoacetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylate is C25H22N4O5.
What is the molecular weight of ethyl 5-{2-[2-(4-methoxyanilino)-2-oxoacetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylate?
The molecular weight of ethyl 5-{2-[2-(4-methoxyanilino)-2-oxoacetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylate is 458.16 g/mol.
Where can I buy ethyl 5-{2-[2-(4-methoxyanilino)-2-oxoacetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylate?
You can request a quote for ethyl 5-{2-[2-(4-methoxyanilino)-2-oxoacetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-{2-[2-(4-methoxyanilino)-2-oxoacetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-{2-[2-(4-methoxyanilino)-2-oxoacetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.