EINECS 306-847-5
TL;DR: EINECS 306-847-5 (CAS 97416-97-2) is a chemical compound with molecular formula C19H15K3N4O13S3 and molecular weight 719.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tripotassium;4-[[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
Also Known As: EINECS 306-847-5, Tripotassium 4,5-dihydro-4-((2-methoxy-5-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)azo)-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate, TRIPOTASSIUM 4,5-DIHYDRO-4-[[2-METHOXY-5-[[2-(SULPHONATOOXY)ETHYL]SULPHONYL]PHENYL]AZO]-5-OXO-1-(4-SULPHONATOPHENYL)-1H-PYRAZOLE-3-CARBOXYLATE, 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-4-[2-[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-, potassium salt (1:3), 4,5-Dihydro-4-[[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid tripotassium salt
| Molecular Formula | C19H15K3N4O13S3 |
|---|---|
| Molecular Weight | 719.87 g/mol |
| LogP | -10.5332 |
| Topological Polar Surface Area | 264.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 11 |
| Exact Mass | 719.8709 |
| Heavy Atoms | 42 |
| Complexity | 1699.6039 |
Chemical Identifiers
| CAS Number | 97416-97-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)CCOS(=O)(=O)[O-])N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-].[K+].[K+].[K+] |
Product Overview
EINECS 306-847-5 (CAS 97416-97-2), with molecular formula C19H15K3N4O13S3 and molecular weight 719.87 g/mol. IUPAC: tripotassium;4-[[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate.
Chemical Property Profile of EINECS 306-847-5
Property Insights of EINECS 306-847-5
The XLogP value of -10.5332 indicates that EINECS 306-847-5 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 264.52 Ų indicates high polarity, suggesting EINECS 306-847-5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 306-847-5 has 0 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 306-847-5?
The CAS number of EINECS 306-847-5 is 97416-97-2.
What is the molecular formula of EINECS 306-847-5?
The molecular formula of EINECS 306-847-5 is C19H15K3N4O13S3.
What is the molecular weight of EINECS 306-847-5?
The molecular weight of EINECS 306-847-5 is 719.87 g/mol.
Where can I buy EINECS 306-847-5?
You can request a quote for EINECS 306-847-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 306-847-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 306-847-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.