1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(acetamido)phenyl)-5-phenyl-, Ethyl Methyl Ester
TL;DR: 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(acetamido)phenyl)-5-phenyl-, Ethyl Methyl Ester (CAS 96722-85-9) is a chemical compound with molecular formula C22H21N3O5 and molecular weight 407.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-ethyl 3-O-methyl 1-(4-acetamidophenyl)-5-phenylpyrazole-3,4-dicarboxylate
Also Known As: 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(acetamido)phenyl)-5-phenyl-, Ethyl Methyl Ester, 4-Ethyl 3-methyl 1-(4-acetamidophenyl)-5-phenyl-1H-pyrazole-3,4-dicarboxylate, 4-O-ethyl 3-O-methyl 1-(4-acetamidophenyl)-5-phenylpyrazole-3,4-dicarboxylate
| Molecular Formula | C22H21N3O5 |
|---|---|
| Molecular Weight | 407.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 407.14813 |
| Heavy Atoms | 30 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 96722-85-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1C(=O)OC)C2=CC=C(C=C2)NC(=O)C)C3=CC=CC=C3 |
| InChIKey | HFRCAGGENQIQGJ-UHFFFAOYSA-N |
Product Overview
1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(acetamido)phenyl)-5-phenyl-, Ethyl Methyl Ester (CAS 96722-85-9), with molecular formula C22H21N3O5 and molecular weight 407.15 g/mol. IUPAC: 4-O-ethyl 3-O-methyl 1-(4-acetamidophenyl)-5-phenylpyrazole-3,4-dicarboxylate.
Chemical Property Profile of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(acetamido)phenyl)-5-phenyl-, Ethyl Methyl Ester
Property Insights of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(acetamido)phenyl)-5-phenyl-, Ethyl Methyl Ester
The XLogP value of 3.1 indicates that 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(acetamido)phenyl)-5-phenyl-, Ethyl Methyl Ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(acetamido)phenyl)-5-phenyl-, Ethyl Methyl Ester. Following Lipinski's Rule of Five, 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(acetamido)phenyl)-5-phenyl-, Ethyl Methyl Ester 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 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(acetamido)phenyl)-5-phenyl-, Ethyl Methyl Ester?
The CAS number of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(acetamido)phenyl)-5-phenyl-, Ethyl Methyl Ester is 96722-85-9.
What is the molecular formula of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(acetamido)phenyl)-5-phenyl-, Ethyl Methyl Ester?
The molecular formula of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(acetamido)phenyl)-5-phenyl-, Ethyl Methyl Ester is C22H21N3O5.
What is the molecular weight of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(acetamido)phenyl)-5-phenyl-, Ethyl Methyl Ester?
The molecular weight of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(acetamido)phenyl)-5-phenyl-, Ethyl Methyl Ester is 407.15 g/mol.
Where can I buy 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(acetamido)phenyl)-5-phenyl-, Ethyl Methyl Ester?
You can request a quote for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(acetamido)phenyl)-5-phenyl-, Ethyl Methyl Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(acetamido)phenyl)-5-phenyl-, Ethyl Methyl Ester?
Yes, KEHONG BIO provides custom synthesis services for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(acetamido)phenyl)-5-phenyl-, Ethyl Methyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.