RefChem:564498
TL;DR: RefChem:564498 (CAS 63870-34-8) is a chemical compound with molecular formula C23H18N4Na2O8S2 and molecular weight 588.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-[5-methyl-4-[3-[3-methyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]prop-1-enyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate
Also Known As: Benzenesulfonic acid, 4-[4,5-dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-propen-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:2), Benzenesulfonic acid, 4-[4,5-dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-propenylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, disodium salt, Disodium 4-(5-hydroxy-3-methyl-4-{3-[3-methyl-5-oxo-1-(4-sulfonatophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]prop-1-en-1-yl}-1H-pyrazol-1-yl)benzene-1-sulfonate, RefChem:564498
| Molecular Formula | C23H18N4Na2O8S2 |
|---|---|
| Molecular Weight | 588.04 g/mol |
| LogP | -4.34748 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 588.03613 |
| Heavy Atoms | 39 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 63870-34-8 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)[O-])C=CC=C3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C.[Na+].[Na+] |
| InChIKey | IQALYCUICNUBHU-UHFFFAOYSA-L |
Product Overview
RefChem:564498 (CAS 63870-34-8), with molecular formula C23H18N4Na2O8S2 and molecular weight 588.04 g/mol. IUPAC: disodium;4-[5-methyl-4-[3-[3-methyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]prop-1-enyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate.
Chemical Property Profile of RefChem:564498
Property Insights of RefChem:564498
The XLogP value of -4.34748 indicates that RefChem:564498 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 196.0 Ų indicates high polarity, suggesting RefChem:564498 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:564498 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:564498?
The CAS number of RefChem:564498 is 63870-34-8.
What is the molecular formula of RefChem:564498?
The molecular formula of RefChem:564498 is C23H18N4Na2O8S2.
What is the molecular weight of RefChem:564498?
The molecular weight of RefChem:564498 is 588.04 g/mol.
Where can I buy RefChem:564498?
You can request a quote for RefChem:564498 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:564498?
Yes, KEHONG BIO provides custom synthesis services for RefChem:564498 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.