EINECS 274-382-4
TL;DR: EINECS 274-382-4 (CAS 70208-51-4) is a chemical compound with molecular formula C25H20K2N4O8S2 and molecular weight 646.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipotassium;4-[5-methyl-4-[(1Z,3E,5Z)-5-[3-methyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]penta-1,3-dienyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate
Also Known As: EINECS 274-382-4, Dipotassium p-(4,5-dihydro-4-(5-(5-hydroxy-3-methyl-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)penta-2,4-dienylidene)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonate, Benzenesulfonic acid,4-[4,5-dihydro-4-[5-[5- hydroxy-3-methyl-1-(4-sulfophenyl)-1Hpyrazol- 4-yl]-2,4-pentadienylidene]-3- methyl-5-oxo-1H-pyrazol-1-yl]-,dipotassium salt, dipotassium 4-[5-methyl-4-[(1Z,3E,5Z)-5-[3-methyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]penta-1,3-dienyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate, Dipotassium p-[4,5-dihydro-4-[5-[5-hydroxy-3-methyl-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]penta-2,4-dienylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate
| Molecular Formula | C25H20K2N4O8S2 |
|---|---|
| Molecular Weight | 646.00 g/mol |
| LogP | -3.79128 |
| Topological Polar Surface Area | 184.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 645.9997 |
| Heavy Atoms | 41 |
| Complexity | 1855.0813 |
Chemical Identifiers
| CAS Number | 70208-51-4 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)[O-])/C=C\C=C\C=C/3\C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C.[K+].[K+] |
Product Overview
EINECS 274-382-4 (CAS 70208-51-4), with molecular formula C25H20K2N4O8S2 and molecular weight 646.00 g/mol. IUPAC: dipotassium;4-[5-methyl-4-[(1Z,3E,5Z)-5-[3-methyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]penta-1,3-dienyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate.
Chemical Property Profile of EINECS 274-382-4
Property Insights of EINECS 274-382-4
The XLogP value of -3.79128 indicates that EINECS 274-382-4 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 184.86 Ų indicates high polarity, suggesting EINECS 274-382-4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 274-382-4 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 274-382-4?
The CAS number of EINECS 274-382-4 is 70208-51-4.
What is the molecular formula of EINECS 274-382-4?
The molecular formula of EINECS 274-382-4 is C25H20K2N4O8S2.
What is the molecular weight of EINECS 274-382-4?
The molecular weight of EINECS 274-382-4 is 646.00 g/mol.
Where can I buy EINECS 274-382-4?
You can request a quote for EINECS 274-382-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 274-382-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 274-382-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.