EINECS 227-974-1
TL;DR: EINECS 227-974-1 (CAS 6054-90-6) is a chemical compound with molecular formula C23H17N6NaO8S and molecular weight 560.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2-[[3-[4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]phenyl]sulfonylamino]benzoate
Also Known As: EINECS 227-974-1, C.I. Mordant Red 39, monosodium salt, Sodium 2-(((3-(4,5-dihydro-4-((2-hydroxy-4-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl)sulphonyl)amino)benzoate, Sodium;2-[[3-[4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]phenyl]sulfonylamino]benzoate, Benzoic acid, 2-[[[3-[4,5-dihydro-4-[(2-hydroxy-4-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]phenyl]sulfonyl]amino]-, monosodium salt
| Molecular Formula | C23H17N6NaO8S |
|---|---|
| Molecular Weight | 560.07 g/mol |
| LogP | -0.6563 |
| Topological Polar Surface Area | 207.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 560.07263 |
| Heavy Atoms | 39 |
| Complexity | 1643.0107 |
Chemical Identifiers
| CAS Number | 6054-90-6 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4C(=O)[O-].[Na+] |
Product Overview
EINECS 227-974-1 (CAS 6054-90-6), with molecular formula C23H17N6NaO8S and molecular weight 560.07 g/mol. IUPAC: sodium 2-[[3-[4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]phenyl]sulfonylamino]benzoate.
Chemical Property Profile of EINECS 227-974-1
Property Insights of EINECS 227-974-1
The XLogP value of -0.6563 indicates that EINECS 227-974-1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 207.06 Ų indicates high polarity, suggesting EINECS 227-974-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 227-974-1 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 227-974-1?
The CAS number of EINECS 227-974-1 is 6054-90-6.
What is the molecular formula of EINECS 227-974-1?
The molecular formula of EINECS 227-974-1 is C23H17N6NaO8S.
What is the molecular weight of EINECS 227-974-1?
The molecular weight of EINECS 227-974-1 is 560.07 g/mol.
Where can I buy EINECS 227-974-1?
You can request a quote for EINECS 227-974-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 227-974-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 227-974-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.