RefChem:565476
TL;DR: RefChem:565476 (CAS 68227-65-6) is a chemical compound with molecular formula C25H19N5Na2O9S2 and molecular weight 643.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-[[1-[4-[2-(4-amino-2-sulfophenyl)ethenyl]-3-sulfonatophenyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoate
Also Known As: Benzoic acid, 2-[[1-[4-[2-(4-amino-2-sulfophenyl)ethenyl]-3-sulfophenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-, disodium salt, Benzoic acid, 2-[2-[1-[4-[2-(4-amino-2-sulfophenyl)ethenyl]-3-sulfophenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-, sodium salt (1:2), Disodium 2-[(1-{4-[2-(4-amino-2-sulfophenyl)ethen-1-yl]-3-sulfonatophenyl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzoate, RefChem:565476
| Molecular Formula | C25H19N5Na2O9S2 |
|---|---|
| Molecular Weight | 643.04 g/mol |
| LogP | -4.1635 |
| Topological Polar Surface Area | 252.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 643.04193 |
| Heavy Atoms | 43 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 68227-65-6 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)[O-])C3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N)S(=O)(=O)O)S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | WYUMVBKVYIOELZ-UHFFFAOYSA-L |
Product Overview
RefChem:565476 (CAS 68227-65-6), with molecular formula C25H19N5Na2O9S2 and molecular weight 643.04 g/mol. IUPAC: disodium;2-[[1-[4-[2-(4-amino-2-sulfophenyl)ethenyl]-3-sulfonatophenyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoate.
Chemical Property Profile of RefChem:565476
Property Insights of RefChem:565476
The XLogP value of -4.1635 indicates that RefChem:565476 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 252.0 Ų indicates high polarity, suggesting RefChem:565476 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:565476 has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:565476?
The CAS number of RefChem:565476 is 68227-65-6.
What is the molecular formula of RefChem:565476?
The molecular formula of RefChem:565476 is C25H19N5Na2O9S2.
What is the molecular weight of RefChem:565476?
The molecular weight of RefChem:565476 is 643.04 g/mol.
Where can I buy RefChem:565476?
You can request a quote for RefChem:565476 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:565476?
Yes, KEHONG BIO provides custom synthesis services for RefChem:565476 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.