RefChem:530063
TL;DR: RefChem:530063 (CAS 25985-53-9) is a chemical compound with molecular formula C33H47N3O6S and molecular weight 613.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(octadecanoylamino)-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid
Also Known As: 5-(4,5-Dihydro-5-oxo-3-((1-oxooctadecyl)amino)-1H-pyrazol-1-yl)-2-phenoxybenzenesulphonic acid, 5-[3-(octadecanoylamino)-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid, IRIDIUMIPENTANEDIONATE-CYCLO-OCTADIENECOMPLEX, 5-[4,5-Dihydro-5-oxo-3-[(1-oxooctadecyl)amino]-1H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid, 1-(3-Sulfo-4-phenoxyphenyl)-3-(stearoylamino)pyrazolin-5-one
| Molecular Formula | C33H47N3O6S |
|---|---|
| Molecular Weight | 613.32 g/mol |
| LogP | 9.2 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 21 |
| Exact Mass | 613.31854 |
| Heavy Atoms | 43 |
| Complexity | 960.0 |
Chemical Identifiers
| CAS Number | 25985-53-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)O |
| InChIKey | UYEZDWWGFYJUOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:530063 (CAS 25985-53-9), with molecular formula C33H47N3O6S and molecular weight 613.32 g/mol. IUPAC: 5-[3-(octadecanoylamino)-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid.
Chemical Property Profile of RefChem:530063
Property Insights of RefChem:530063
The XLogP value of 9.2 indicates that RefChem:530063 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:530063. Following Lipinski's Rule of Five, RefChem:530063 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:530063?
The CAS number of RefChem:530063 is 25985-53-9.
What is the molecular formula of RefChem:530063?
The molecular formula of RefChem:530063 is C33H47N3O6S.
What is the molecular weight of RefChem:530063?
The molecular weight of RefChem:530063 is 613.32 g/mol.
Where can I buy RefChem:530063?
You can request a quote for RefChem:530063 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:530063?
Yes, KEHONG BIO provides custom synthesis services for RefChem:530063 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.