5-amino-1-((4-fluorophenyl)sulfonyl)-1H-pyrazol-3-yl 2-bromobenzoate
TL;DR: 5-amino-1-((4-fluorophenyl)sulfonyl)-1H-pyrazol-3-yl 2-bromobenzoate (CAS 442679-20-1) is a chemical compound with molecular formula C16H11BrFN3O4S and molecular weight 438.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-amino-1-(4-fluorophenyl)sulfonylpyrazol-3-yl] 2-bromobenzoate
Also Known As: 5-amino-1-((4-fluorophenyl)sulfonyl)-1H-pyrazol-3-yl 2-bromobenzoate, 5-amino-1-(4-fluorobenzenesulfonyl)-1H-pyrazol-3-yl 2-bromobenzoate, [5-amino-1-(4-fluorophenyl)sulfonylpyrazol-3-yl] 2-bromobenzoate, F0549-0321, [5-amino-1-(4-fluorophenyl)sulfonyl-pyrazol-3-yl] 2-bromobenzoate
| Molecular Formula | C16H11BrFN3O4S |
|---|---|
| Molecular Weight | 438.96 g/mol |
| LogP | 2.8231 |
| Topological Polar Surface Area | 104.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.96378 |
| Heavy Atoms | 26 |
| Complexity | 1081.1293 |
Chemical Identifiers
| CAS Number | 442679-20-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=C(C=C3)F)Br |
Product Overview
5-amino-1-((4-fluorophenyl)sulfonyl)-1H-pyrazol-3-yl 2-bromobenzoate (CAS 442679-20-1), with molecular formula C16H11BrFN3O4S and molecular weight 438.96 g/mol. IUPAC: [5-amino-1-(4-fluorophenyl)sulfonylpyrazol-3-yl] 2-bromobenzoate.
Chemical Property Profile of 5-amino-1-((4-fluorophenyl)sulfonyl)-1H-pyrazol-3-yl 2-bromobenzoate
Property Insights of 5-amino-1-((4-fluorophenyl)sulfonyl)-1H-pyrazol-3-yl 2-bromobenzoate
The XLogP value of 2.8231 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-((4-fluorophenyl)sulfonyl)-1H-pyrazol-3-yl 2-bromobenzoate. The TPSA of 104.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1-((4-fluorophenyl)sulfonyl)-1H-pyrazol-3-yl 2-bromobenzoate. Following Lipinski's Rule of Five, 5-amino-1-((4-fluorophenyl)sulfonyl)-1H-pyrazol-3-yl 2-bromobenzoate 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 5-amino-1-((4-fluorophenyl)sulfonyl)-1H-pyrazol-3-yl 2-bromobenzoate?
The CAS number of 5-amino-1-((4-fluorophenyl)sulfonyl)-1H-pyrazol-3-yl 2-bromobenzoate is 442679-20-1.
What is the molecular formula of 5-amino-1-((4-fluorophenyl)sulfonyl)-1H-pyrazol-3-yl 2-bromobenzoate?
The molecular formula of 5-amino-1-((4-fluorophenyl)sulfonyl)-1H-pyrazol-3-yl 2-bromobenzoate is C16H11BrFN3O4S.
What is the molecular weight of 5-amino-1-((4-fluorophenyl)sulfonyl)-1H-pyrazol-3-yl 2-bromobenzoate?
The molecular weight of 5-amino-1-((4-fluorophenyl)sulfonyl)-1H-pyrazol-3-yl 2-bromobenzoate is 438.96 g/mol.
Where can I buy 5-amino-1-((4-fluorophenyl)sulfonyl)-1H-pyrazol-3-yl 2-bromobenzoate?
You can request a quote for 5-amino-1-((4-fluorophenyl)sulfonyl)-1H-pyrazol-3-yl 2-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-amino-1-((4-fluorophenyl)sulfonyl)-1H-pyrazol-3-yl 2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-((4-fluorophenyl)sulfonyl)-1H-pyrazol-3-yl 2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.