4-p-Tolyl-2H-pyrazole-3-carboxylic acid ethyl ester
TL;DR: 4-p-Tolyl-2H-pyrazole-3-carboxylic acid ethyl ester (CAS 18716-26-2) is a chemical compound with molecular formula C30H33AlF21O6 and molecular weight 915.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: 4-p-Tolyl-2H-pyrazole-3-carboxylic acid ethyl ester, aluminum,6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione
| Molecular Formula | C30H33AlF21O6 |
|---|---|
| Molecular Weight | 915.18 g/mol |
| LogP | 9.8003 |
| Topological Polar Surface Area | 102.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 915.1757 |
| Heavy Atoms | 58 |
| Complexity | 1312.1786 |
Chemical Identifiers
| CAS Number | 18716-26-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F.CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F.CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F.[Al] |
Product Overview
4-p-Tolyl-2H-pyrazole-3-carboxylic acid ethyl ester (CAS 18716-26-2), with molecular formula C30H33AlF21O6 and molecular weight 915.18 g/mol.
Chemical Property Profile of 4-p-Tolyl-2H-pyrazole-3-carboxylic acid ethyl ester
Property Insights of 4-p-Tolyl-2H-pyrazole-3-carboxylic acid ethyl ester
The XLogP value of 9.8003 indicates that 4-p-Tolyl-2H-pyrazole-3-carboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-p-Tolyl-2H-pyrazole-3-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 4-p-Tolyl-2H-pyrazole-3-carboxylic acid ethyl 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 4-p-Tolyl-2H-pyrazole-3-carboxylic acid ethyl ester?
The CAS number of 4-p-Tolyl-2H-pyrazole-3-carboxylic acid ethyl ester is 18716-26-2.
What is the molecular formula of 4-p-Tolyl-2H-pyrazole-3-carboxylic acid ethyl ester?
The molecular formula of 4-p-Tolyl-2H-pyrazole-3-carboxylic acid ethyl ester is C30H33AlF21O6.
What is the molecular weight of 4-p-Tolyl-2H-pyrazole-3-carboxylic acid ethyl ester?
The molecular weight of 4-p-Tolyl-2H-pyrazole-3-carboxylic acid ethyl ester is 915.18 g/mol.
Where can I buy 4-p-Tolyl-2H-pyrazole-3-carboxylic acid ethyl ester?
You can request a quote for 4-p-Tolyl-2H-pyrazole-3-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-p-Tolyl-2H-pyrazole-3-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-p-Tolyl-2H-pyrazole-3-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.