3-amino-4-(3-icosyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid
TL;DR: 3-amino-4-(3-icosyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS 439092-51-0) is a chemical compound with molecular formula C29H49N3O4S and molecular weight 535.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-(3-icosyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
Also Known As: 3-amino-4-(3-icosyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid, 3-amino-4-(3-icosyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic Acid
| Molecular Formula | C29H49N3O4S |
|---|---|
| Molecular Weight | 535.34 g/mol |
| LogP | 8.04 |
| Topological Polar Surface Area | 113.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 21 |
| Exact Mass | 535.34436 |
| Heavy Atoms | 37 |
| Complexity | 946.47015 |
Chemical Identifiers
| CAS Number | 439092-51-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)C2=C(C=C(C=C2)S(=O)(=O)O)N |
Product Overview
3-amino-4-(3-icosyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS 439092-51-0), with molecular formula C29H49N3O4S and molecular weight 535.34 g/mol. IUPAC: 3-amino-4-(3-icosyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid.
Chemical Property Profile of 3-amino-4-(3-icosyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid
Property Insights of 3-amino-4-(3-icosyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid
The XLogP value of 8.04 indicates that 3-amino-4-(3-icosyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-4-(3-icosyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid. Following Lipinski's Rule of Five, 3-amino-4-(3-icosyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-amino-4-(3-icosyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid?
The CAS number of 3-amino-4-(3-icosyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid is 439092-51-0.
What is the molecular formula of 3-amino-4-(3-icosyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid?
The molecular formula of 3-amino-4-(3-icosyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid is C29H49N3O4S.
What is the molecular weight of 3-amino-4-(3-icosyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid?
The molecular weight of 3-amino-4-(3-icosyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid is 535.34 g/mol.
Where can I buy 3-amino-4-(3-icosyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid?
You can request a quote for 3-amino-4-(3-icosyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-amino-4-(3-icosyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-4-(3-icosyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.