5-(3-Amino-5-oxo-2-pyrazolin-1-yl)-2-phenoxybenzenesulfonic acid
TL;DR: 5-(3-Amino-5-oxo-2-pyrazolin-1-yl)-2-phenoxybenzenesulfonic acid (CAS 30479-81-3) is a chemical compound with molecular formula C15H13N3O5S and molecular weight 347.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-amino-5-oxo-4H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid
Also Known As: 5-(3-Amino-5-oxo-2-pyrazolin-1-yl)-2-phenoxybenzenesulfonic acid, 5-(3-amino-5-oxo-4H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid, J1.705.322A, AB00073682-01, 1-(4-Phenoxy-3-sulfophenyl)-3-amino-pyrazoline-5-one
| Molecular Formula | C15H13N3O5S |
|---|---|
| Molecular Weight | 347.06 g/mol |
| LogP | 1.7345 |
| Topological Polar Surface Area | 122.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.0576 |
| Heavy Atoms | 24 |
| Complexity | 925.3806 |
Chemical Identifiers
| CAS Number | 30479-81-3 |
|---|---|
| SMILES | C1C(=NN(C1=O)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)O)N |
Product Overview
5-(3-Amino-5-oxo-2-pyrazolin-1-yl)-2-phenoxybenzenesulfonic acid (CAS 30479-81-3), with molecular formula C15H13N3O5S and molecular weight 347.06 g/mol. IUPAC: 5-(3-amino-5-oxo-4H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid.
Chemical Property Profile of 5-(3-Amino-5-oxo-2-pyrazolin-1-yl)-2-phenoxybenzenesulfonic acid
Property Insights of 5-(3-Amino-5-oxo-2-pyrazolin-1-yl)-2-phenoxybenzenesulfonic acid
The XLogP value of 1.7345 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Amino-5-oxo-2-pyrazolin-1-yl)-2-phenoxybenzenesulfonic acid. The TPSA of 122.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Amino-5-oxo-2-pyrazolin-1-yl)-2-phenoxybenzenesulfonic acid. Following Lipinski's Rule of Five, 5-(3-Amino-5-oxo-2-pyrazolin-1-yl)-2-phenoxybenzenesulfonic acid has 2 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-(3-Amino-5-oxo-2-pyrazolin-1-yl)-2-phenoxybenzenesulfonic acid?
The CAS number of 5-(3-Amino-5-oxo-2-pyrazolin-1-yl)-2-phenoxybenzenesulfonic acid is 30479-81-3.
What is the molecular formula of 5-(3-Amino-5-oxo-2-pyrazolin-1-yl)-2-phenoxybenzenesulfonic acid?
The molecular formula of 5-(3-Amino-5-oxo-2-pyrazolin-1-yl)-2-phenoxybenzenesulfonic acid is C15H13N3O5S.
What is the molecular weight of 5-(3-Amino-5-oxo-2-pyrazolin-1-yl)-2-phenoxybenzenesulfonic acid?
The molecular weight of 5-(3-Amino-5-oxo-2-pyrazolin-1-yl)-2-phenoxybenzenesulfonic acid is 347.06 g/mol.
Where can I buy 5-(3-Amino-5-oxo-2-pyrazolin-1-yl)-2-phenoxybenzenesulfonic acid?
You can request a quote for 5-(3-Amino-5-oxo-2-pyrazolin-1-yl)-2-phenoxybenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Amino-5-oxo-2-pyrazolin-1-yl)-2-phenoxybenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Amino-5-oxo-2-pyrazolin-1-yl)-2-phenoxybenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.