5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-fluorobenzoate
TL;DR: 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-fluorobenzoate (CAS 442678-83-3) is a chemical compound with molecular formula C16H12FN3O4S and molecular weight 361.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-amino-1-(benzenesulfonyl)pyrazol-3-yl] 4-fluorobenzoate
Also Known As: AB00668353-01, 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-fluorobenzoate, [5-amino-1-(benzenesulfonyl)pyrazol-3-yl] 4-fluorobenzoate, 5-amino-1-(phenylsulfonyl)-1H-pyrazol-3-yl 4-fluorobenzoate, F0549-0220
| Molecular Formula | C16H12FN3O4S |
|---|---|
| Molecular Weight | 361.05 g/mol |
| LogP | 2.0606 |
| Topological Polar Surface Area | 104.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.05325 |
| Heavy Atoms | 25 |
| Complexity | 1015.2932 |
Chemical Identifiers
| CAS Number | 442678-83-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=CC=C(C=C3)F)N |
Product Overview
5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-fluorobenzoate (CAS 442678-83-3), with molecular formula C16H12FN3O4S and molecular weight 361.05 g/mol. IUPAC: [5-amino-1-(benzenesulfonyl)pyrazol-3-yl] 4-fluorobenzoate.
Chemical Property Profile of 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-fluorobenzoate
Property Insights of 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-fluorobenzoate
The XLogP value of 2.0606 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-fluorobenzoate. The TPSA of 104.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-fluorobenzoate. Following Lipinski's Rule of Five, 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-fluorobenzoate 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-(benzenesulfonyl)-1H-pyrazol-3-yl 4-fluorobenzoate?
The CAS number of 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-fluorobenzoate is 442678-83-3.
What is the molecular formula of 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-fluorobenzoate?
The molecular formula of 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-fluorobenzoate is C16H12FN3O4S.
What is the molecular weight of 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-fluorobenzoate?
The molecular weight of 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-fluorobenzoate is 361.05 g/mol.
Where can I buy 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-fluorobenzoate?
You can request a quote for 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-fluorobenzoate 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-(benzenesulfonyl)-1H-pyrazol-3-yl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-(benzenesulfonyl)-1H-pyrazol-3-yl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.