RefChem:386744
TL;DR: RefChem:386744 (CAS 6442-00-8) is a chemical compound with molecular formula C24H14N5Na3O9S3 and molecular weight 680.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;4-[[4-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)phenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
Also Known As: Trisodium 4,5-dihydro-4-((4-(6-methyl-7-sulphonatobenzothiazol-2-yl)phenyl)azo)-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate, trisodium 4-{(e)-[4-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)phenyl]diazenyl}-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1h-pyrazole-3-carboxylate, 1-[3-methoxy-4-(prop-1-en-1-yl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol, 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-4-((4-(6-methyl-7-sulfo-2-benzothiazolyl)phenyl)azo)-5-oxo-1-(4-sulfophenyl)-, trisodium salt, 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-4-(2-(4-(6-methyl-7-sulfo-2-benzothiazolyl)phenyl)diazenyl)-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:3)
| Molecular Formula | C24H14N5Na3O9S3 |
|---|---|
| Molecular Weight | 680.96 g/mol |
| LogP | -7.3 |
| Topological Polar Surface Area | 270.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 4 |
| Exact Mass | 680.96466 |
| Heavy Atoms | 44 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 6442-00-8 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC4C(=NN(C4=O)C5=CC=C(C=C5)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | NYNDYBLXCWXHKE-UHFFFAOYSA-K |
Product Overview
RefChem:386744 (CAS 6442-00-8), with molecular formula C24H14N5Na3O9S3 and molecular weight 680.96 g/mol. IUPAC: trisodium;4-[[4-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)phenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate.
Chemical Property Profile of RefChem:386744
Property Insights of RefChem:386744
The XLogP value of -7.3 indicates that RefChem:386744 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 270.0 Ų indicates high polarity, suggesting RefChem:386744 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:386744 has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:386744?
The CAS number of RefChem:386744 is 6442-00-8.
What is the molecular formula of RefChem:386744?
The molecular formula of RefChem:386744 is C24H14N5Na3O9S3.
What is the molecular weight of RefChem:386744?
The molecular weight of RefChem:386744 is 680.96 g/mol.
Where can I buy RefChem:386744?
You can request a quote for RefChem:386744 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:386744?
Yes, KEHONG BIO provides custom synthesis services for RefChem:386744 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.