EINECS 225-616-9
TL;DR: EINECS 225-616-9 (CAS 4971-48-6) is a chemical compound with molecular formula C32H46N2O5S and molecular weight 570.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid
Also Known As: 1-(3-SULFO-4-PHENOXY)-PHENYL-3-HEPTADECYL-PYRAZOLINE-5-ONE, 5-(3-Heptadecyl-4,5-dihydro-5-oxo-1H-pyrazol-1-yl)-2-phenoxybenzenesulphonic acid, 5-(3-heptadecyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid, 1-(4-Phenoxy-3-sulfophenyl)-3-heptadecyl-1H-pyrazol-5(4H)-one, 5-(3-Heptadecyl-4,5-dihydro-5-oxo-1H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid
| Molecular Formula | C32H46N2O5S |
|---|---|
| Molecular Weight | 570.31 g/mol |
| LogP | 10.0 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Exact Mass | 570.31274 |
| Heavy Atoms | 40 |
| Complexity | 850.0 |
Chemical Identifiers
| CAS Number | 4971-48-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)O |
| InChIKey | NUVIBPSQTHIMKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
EINECS 225-616-9 (CAS 4971-48-6), with molecular formula C32H46N2O5S and molecular weight 570.31 g/mol. IUPAC: 5-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid.
Chemical Property Profile of EINECS 225-616-9
Property Insights of EINECS 225-616-9
The XLogP value of 10.0 indicates that EINECS 225-616-9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 225-616-9. Following Lipinski's Rule of Five, EINECS 225-616-9 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 225-616-9?
The CAS number of EINECS 225-616-9 is 4971-48-6.
What is the molecular formula of EINECS 225-616-9?
The molecular formula of EINECS 225-616-9 is C32H46N2O5S.
What is the molecular weight of EINECS 225-616-9?
The molecular weight of EINECS 225-616-9 is 570.31 g/mol.
Where can I buy EINECS 225-616-9?
You can request a quote for EINECS 225-616-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 225-616-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 225-616-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.