EINECS 283-246-3
TL;DR: EINECS 283-246-3 (CAS 84583-93-7) is a chemical compound with molecular formula C16H12N5NaO7S and molecular weight 441.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 4-hydroxy-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-5-nitrobenzenesulfonate
Also Known As: EINECS 283-246-3, Sodium 3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxy-5-nitrobenzenesulphonate, SODIUM 3-[(4,5-DIHYDRO-3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4-YL)AZO]-4-HYDROXY-5-NITROBENZENESULFONATE, sodium (3Z)-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-5-nitro-4-oxocyclohexa-1,5-diene-1-sulfonate, Sodium 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-5-nitrobenzenesulphonate
| Molecular Formula | C16H12N5NaO7S |
|---|---|
| Molecular Weight | 441.04 g/mol |
| LogP | -0.9165 |
| Topological Polar Surface Area | 177.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.03552 |
| Heavy Atoms | 30 |
| Complexity | 1168.0065 |
Chemical Identifiers
| CAS Number | 84583-93-7 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C(=CC(=C2)S(=O)(=O)[O-])[N+](=O)[O-])O)C3=CC=CC=C3.[Na+] |
Product Overview
EINECS 283-246-3 (CAS 84583-93-7), with molecular formula C16H12N5NaO7S and molecular weight 441.04 g/mol. IUPAC: sodium 4-hydroxy-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-5-nitrobenzenesulfonate.
Chemical Property Profile of EINECS 283-246-3
Property Insights of EINECS 283-246-3
The XLogP value of -0.9165 indicates that EINECS 283-246-3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 177.96 Ų indicates high polarity, suggesting EINECS 283-246-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 283-246-3 has 1 hydrogen bond donor(s) and 10 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 EINECS 283-246-3?
The CAS number of EINECS 283-246-3 is 84583-93-7.
What is the molecular formula of EINECS 283-246-3?
The molecular formula of EINECS 283-246-3 is C16H12N5NaO7S.
What is the molecular weight of EINECS 283-246-3?
The molecular weight of EINECS 283-246-3 is 441.04 g/mol.
Where can I buy EINECS 283-246-3?
You can request a quote for EINECS 283-246-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 283-246-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 283-246-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.