![[5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate structure](/static/products/1004/1004017-90-6.webp)
[5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate
TL;DR: [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate (CAS 1004017-90-6) is a chemical compound with molecular formula C16H11ClFN3O4S and molecular weight 395.01 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] 2-chloro-6-fluorobenzoate
Also Known As: AB00668355-01, [5-amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate, F0549-0228, 5-amino-1-(phenylsulfonyl)-1H-pyrazol-3-yl 2-chloro-6-fluorobenzoate, [5-azanyl-1-(phenylsulfonyl)pyrazol-3-yl] 2-chloranyl-6-fluoranyl-benzoate
| Molecular Formula | C16H11ClFN3O4S |
|---|---|
| Molecular Weight | 395.01 g/mol |
| LogP | 2.714 |
| Topological Polar Surface Area | 104.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.01428 |
| Heavy Atoms | 26 |
| Complexity | 1063.8793 |
Chemical Identifiers
| CAS Number | 1004017-90-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=C(C=CC=C3Cl)F)N |
Product Overview
[5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate (CAS 1004017-90-6), with molecular formula C16H11ClFN3O4S and molecular weight 395.01 g/mol. IUPAC: [5-amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate.
Chemical Property Profile of [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate
Property Insights of [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate
The XLogP value of 2.714 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate. The TPSA of 104.28 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate. Following Lipinski's Rule of Five, [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-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)pyrazol-3-yl] 2-chloro-6-fluorobenzoate?
The CAS number of [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate is 1004017-90-6.
What is the molecular formula of [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate?
The molecular formula of [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate is C16H11ClFN3O4S.
What is the molecular weight of [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate?
The molecular weight of [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate is 395.01 g/mol.
Where can I buy [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate?
You can request a quote for [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-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)pyrazol-3-yl] 2-chloro-6-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.