1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-phenoxyphenyl)-5-phenyl-, Diethyl Ester
TL;DR: 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-phenoxyphenyl)-5-phenyl-, Diethyl Ester (CAS 96722-87-1) is a chemical compound with molecular formula C27H24N2O5 and molecular weight 456.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1-(4-phenoxyphenyl)-5-phenylpyrazole-3,4-dicarboxylate
Also Known As: 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-phenoxyphenyl)-5-phenyl-, Diethyl Ester, diethyl 1-(4-phenoxyphenyl)-5-phenylpyrazole-3,4-dicarboxylate, diethyl 1-(4-phenoxyphenyl)-5-phenyl-1H-pyrazole-3,4-dicarboxylate
| Molecular Formula | C27H24N2O5 |
|---|---|
| Molecular Weight | 456.17 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 456.16852 |
| Heavy Atoms | 34 |
| Complexity | 653.0 |
Chemical Identifiers
| CAS Number | 96722-87-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1C(=O)OCC)C2=CC=C(C=C2)OC3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | NLBUQQRBYLUQTM-UHFFFAOYSA-N |
Product Overview
1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-phenoxyphenyl)-5-phenyl-, Diethyl Ester (CAS 96722-87-1), with molecular formula C27H24N2O5 and molecular weight 456.17 g/mol. IUPAC: diethyl 1-(4-phenoxyphenyl)-5-phenylpyrazole-3,4-dicarboxylate.
Chemical Property Profile of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-phenoxyphenyl)-5-phenyl-, Diethyl Ester
Property Insights of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-phenoxyphenyl)-5-phenyl-, Diethyl Ester
The XLogP value of 5.9 indicates that 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-phenoxyphenyl)-5-phenyl-, Diethyl Ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-phenoxyphenyl)-5-phenyl-, Diethyl Ester. Following Lipinski's Rule of Five, 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-phenoxyphenyl)-5-phenyl-, Diethyl Ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-phenoxyphenyl)-5-phenyl-, Diethyl Ester?
The CAS number of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-phenoxyphenyl)-5-phenyl-, Diethyl Ester is 96722-87-1.
What is the molecular formula of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-phenoxyphenyl)-5-phenyl-, Diethyl Ester?
The molecular formula of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-phenoxyphenyl)-5-phenyl-, Diethyl Ester is C27H24N2O5.
What is the molecular weight of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-phenoxyphenyl)-5-phenyl-, Diethyl Ester?
The molecular weight of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-phenoxyphenyl)-5-phenyl-, Diethyl Ester is 456.17 g/mol.
Where can I buy 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-phenoxyphenyl)-5-phenyl-, Diethyl Ester?
You can request a quote for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-phenoxyphenyl)-5-phenyl-, Diethyl 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-phenoxyphenyl)-5-phenyl-, Diethyl Ester?
Yes, KEHONG BIO provides custom synthesis services for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-phenoxyphenyl)-5-phenyl-, Diethyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.