1-((2,3-Dihydro-3-oxo-1H-indazol-6-yl)amino)-1-oxohexadecane-2-sulphonic acid
TL;DR: 1-((2,3-Dihydro-3-oxo-1H-indazol-6-yl)amino)-1-oxohexadecane-2-sulphonic acid (CAS 94087-61-3) is a chemical compound with molecular formula C23H37N3O5S and molecular weight 467.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxo-1-[(3-oxo-1,2-dihydroindazol-6-yl)amino]hexadecane-2-sulfonic acid
Also Known As: EINECS 301-953-8, 1-[amino]-1-oxohexadecane-2-sulphonicacid, 1-[ amino]-1-oxohexadecane-2-sulphonicacid, 1-((2,3-Dihydro-3-oxo-1H-indazol-6-yl)amino)-1-oxohexadecane-2-sulphonic acid, N-(3-Hydroxy-1H-indazol-6-yl)-2-sulfohexadecanimidic acid
| Molecular Formula | C23H37N3O5S |
|---|---|
| Molecular Weight | 467.25 g/mol |
| LogP | 5.1423 |
| Topological Polar Surface Area | 132.12 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 467.2454 |
| Heavy Atoms | 32 |
| Complexity | 996.47064 |
Chemical Identifiers
| CAS Number | 94087-61-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCC(C(=O)NC1=CC2=C(C=C1)C(=O)NN2)S(=O)(=O)O |
Product Overview
1-((2,3-Dihydro-3-oxo-1H-indazol-6-yl)amino)-1-oxohexadecane-2-sulphonic acid (CAS 94087-61-3), with molecular formula C23H37N3O5S and molecular weight 467.25 g/mol. IUPAC: 1-oxo-1-[(3-oxo-1,2-dihydroindazol-6-yl)amino]hexadecane-2-sulfonic acid.
Chemical Property Profile of 1-((2,3-Dihydro-3-oxo-1H-indazol-6-yl)amino)-1-oxohexadecane-2-sulphonic acid
Property Insights of 1-((2,3-Dihydro-3-oxo-1H-indazol-6-yl)amino)-1-oxohexadecane-2-sulphonic acid
The XLogP value of 5.1423 indicates that 1-((2,3-Dihydro-3-oxo-1H-indazol-6-yl)amino)-1-oxohexadecane-2-sulphonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((2,3-Dihydro-3-oxo-1H-indazol-6-yl)amino)-1-oxohexadecane-2-sulphonic acid. Following Lipinski's Rule of Five, 1-((2,3-Dihydro-3-oxo-1H-indazol-6-yl)amino)-1-oxohexadecane-2-sulphonic acid has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-((2,3-Dihydro-3-oxo-1H-indazol-6-yl)amino)-1-oxohexadecane-2-sulphonic acid?
The CAS number of 1-((2,3-Dihydro-3-oxo-1H-indazol-6-yl)amino)-1-oxohexadecane-2-sulphonic acid is 94087-61-3.
What is the molecular formula of 1-((2,3-Dihydro-3-oxo-1H-indazol-6-yl)amino)-1-oxohexadecane-2-sulphonic acid?
The molecular formula of 1-((2,3-Dihydro-3-oxo-1H-indazol-6-yl)amino)-1-oxohexadecane-2-sulphonic acid is C23H37N3O5S.
What is the molecular weight of 1-((2,3-Dihydro-3-oxo-1H-indazol-6-yl)amino)-1-oxohexadecane-2-sulphonic acid?
The molecular weight of 1-((2,3-Dihydro-3-oxo-1H-indazol-6-yl)amino)-1-oxohexadecane-2-sulphonic acid is 467.25 g/mol.
Where can I buy 1-((2,3-Dihydro-3-oxo-1H-indazol-6-yl)amino)-1-oxohexadecane-2-sulphonic acid?
You can request a quote for 1-((2,3-Dihydro-3-oxo-1H-indazol-6-yl)amino)-1-oxohexadecane-2-sulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((2,3-Dihydro-3-oxo-1H-indazol-6-yl)amino)-1-oxohexadecane-2-sulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-((2,3-Dihydro-3-oxo-1H-indazol-6-yl)amino)-1-oxohexadecane-2-sulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.