EINECS 284-475-1
TL;DR: EINECS 284-475-1 (CAS 84912-12-9) is a chemical compound with molecular formula C16H11ClN5NaO7S and molecular weight 475.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 3-[[1-(3-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-4-hydroxy-5-nitrobenzenesulfonate
Also Known As: EINECS 284-475-1, Sodium 3-((1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-4-hydroxy-5-nitrobenzenesulphonate, Benzenesulfonic acid,3-[2-[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-hydroxy-5-nitro-,sodium salt (1:1), sodium (3Z)-3-[[1-(3-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]hydrazinylidene]-5-nitro-4-oxocyclohexa-1,5-diene-1-sulfonate, SODIUM 3-[[1-(3-CHLOROPHENYL)-4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-4-YL]AZO]-4-HYDROXY-5-NITROBENZENESULFONATE
| Molecular Formula | C16H11ClN5NaO7S |
|---|---|
| Molecular Weight | 475.00 g/mol |
| LogP | -0.2631 |
| Topological Polar Surface Area | 177.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.99655 |
| Heavy Atoms | 31 |
| Complexity | 1234.8583 |
Chemical Identifiers
| CAS Number | 84912-12-9 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C(=CC(=C2)S(=O)(=O)[O-])[N+](=O)[O-])O)C3=CC(=CC=C3)Cl.[Na+] |
Product Overview
EINECS 284-475-1 (CAS 84912-12-9), with molecular formula C16H11ClN5NaO7S and molecular weight 475.00 g/mol. IUPAC: sodium 3-[[1-(3-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-4-hydroxy-5-nitrobenzenesulfonate.
Chemical Property Profile of EINECS 284-475-1
Property Insights of EINECS 284-475-1
The XLogP value of -0.2631 indicates that EINECS 284-475-1 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 284-475-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 284-475-1 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 284-475-1?
The CAS number of EINECS 284-475-1 is 84912-12-9.
What is the molecular formula of EINECS 284-475-1?
The molecular formula of EINECS 284-475-1 is C16H11ClN5NaO7S.
What is the molecular weight of EINECS 284-475-1?
The molecular weight of EINECS 284-475-1 is 475.00 g/mol.
Where can I buy EINECS 284-475-1?
You can request a quote for EINECS 284-475-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 284-475-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 284-475-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.