![2-{[1-(tert-butyl)-1H-pyrazol-4-yl]carbonyl}phenyl 3-bromobenzenecarboxylate structure](/static/products/955/955962-16-0.png)
2-{[1-(tert-butyl)-1H-pyrazol-4-yl]carbonyl}phenyl 3-bromobenzenecarboxylate
TL;DR: 2-{[1-(tert-butyl)-1H-pyrazol-4-yl]carbonyl}phenyl 3-bromobenzenecarboxylate (CAS 955962-16-0) is a chemical compound with molecular formula C21H19BrN2O3 and molecular weight 426.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1-tert-butylpyrazole-4-carbonyl)phenyl] 3-bromobenzoate
Also Known As: [2-(1-tert-butylpyrazole-4-carbonyl)phenyl] 3-bromobenzoate, 2-{[1-(tert-butyl)-1H-pyrazol-4-yl]carbonyl}phenyl 3-bromobenzenecarboxylate, 12W-0201, 2-(1-tert-butyl-1H-pyrazole-4-carbonyl)phenyl 3-bromobenzoate, 2-(1-tert-butyl-1H-pyrazole-4-carbonyl)phenyl3-bromobenzoate
| Molecular Formula | C21H19BrN2O3 |
|---|---|
| Molecular Weight | 426.06 g/mol |
| LogP | 4.8508 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.05792 |
| Heavy Atoms | 27 |
| Complexity | 1002.4114 |
Chemical Identifiers
| CAS Number | 955962-16-0 |
|---|---|
| SMILES | CC(C)(C)N1C=C(C=N1)C(=O)C2=CC=CC=C2OC(=O)C3=CC(=CC=C3)Br |
Product Overview
2-{[1-(tert-butyl)-1H-pyrazol-4-yl]carbonyl}phenyl 3-bromobenzenecarboxylate (CAS 955962-16-0), with molecular formula C21H19BrN2O3 and molecular weight 426.06 g/mol. IUPAC: [2-(1-tert-butylpyrazole-4-carbonyl)phenyl] 3-bromobenzoate.
Chemical Property Profile of 2-{[1-(tert-butyl)-1H-pyrazol-4-yl]carbonyl}phenyl 3-bromobenzenecarboxylate
Property Insights of 2-{[1-(tert-butyl)-1H-pyrazol-4-yl]carbonyl}phenyl 3-bromobenzenecarboxylate
The XLogP value of 4.8508 indicates that 2-{[1-(tert-butyl)-1H-pyrazol-4-yl]carbonyl}phenyl 3-bromobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[1-(tert-butyl)-1H-pyrazol-4-yl]carbonyl}phenyl 3-bromobenzenecarboxylate. Following Lipinski's Rule of Five, 2-{[1-(tert-butyl)-1H-pyrazol-4-yl]carbonyl}phenyl 3-bromobenzenecarboxylate has 0 hydrogen bond donor(s) and 4 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 2-{[1-(tert-butyl)-1H-pyrazol-4-yl]carbonyl}phenyl 3-bromobenzenecarboxylate?
The CAS number of 2-{[1-(tert-butyl)-1H-pyrazol-4-yl]carbonyl}phenyl 3-bromobenzenecarboxylate is 955962-16-0.
What is the molecular formula of 2-{[1-(tert-butyl)-1H-pyrazol-4-yl]carbonyl}phenyl 3-bromobenzenecarboxylate?
The molecular formula of 2-{[1-(tert-butyl)-1H-pyrazol-4-yl]carbonyl}phenyl 3-bromobenzenecarboxylate is C21H19BrN2O3.
What is the molecular weight of 2-{[1-(tert-butyl)-1H-pyrazol-4-yl]carbonyl}phenyl 3-bromobenzenecarboxylate?
The molecular weight of 2-{[1-(tert-butyl)-1H-pyrazol-4-yl]carbonyl}phenyl 3-bromobenzenecarboxylate is 426.06 g/mol.
Where can I buy 2-{[1-(tert-butyl)-1H-pyrazol-4-yl]carbonyl}phenyl 3-bromobenzenecarboxylate?
You can request a quote for 2-{[1-(tert-butyl)-1H-pyrazol-4-yl]carbonyl}phenyl 3-bromobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[1-(tert-butyl)-1H-pyrazol-4-yl]carbonyl}phenyl 3-bromobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-{[1-(tert-butyl)-1H-pyrazol-4-yl]carbonyl}phenyl 3-bromobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.