RefChem:79927
TL;DR: RefChem:79927 (CAS 68227-66-7) is a chemical compound with molecular formula C23H17N7Na2O6S and molecular weight 565.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;1-(3-aminophenyl)-4-[[2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl]diazenyl]pyrazole-3-carboxylate
Also Known As: 1H-Pyrazole-3-carboxylic acid, 1-(3-aminophenyl)-4-((2-methoxy-4-((3-sulfophenyl)azo)phenyl)azo)-, disodium salt, 1-(3-Aminophenyl)-4-((2-methoxy-4-((3-sulfophenyl)azo)phenyl)azo)-1H-pyrazole-3-carboxylic acid, disodium salt, 1H-Pyrazole-3-carboxylic acid, 1-(3-aminophenyl)-4-(2-(2-methoxy-4-(2-(3-sulfophenyl)diazenyl)phenyl)diazenyl)-, sodium salt (1:2), 1H-Pyrazole-3-carboxylic acid, 1-(3-aminophenyl)-4-[[2-methoxy-4-[(3-sulfophenyl)azo]phenyl]azo]-, disodium salt, 1H-Pyrazole-3-carboxylic acid, 1-(3-aminophenyl)-4-[2-[2-methoxy-4-[2-(3-sulfophenyl)diazenyl]phenyl]diazenyl]-, sodium salt (1:2)
| Molecular Formula | C23H17N7Na2O6S |
|---|---|
| Molecular Weight | 565.08 g/mol |
| LogP | -2.43 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 565.0756 |
| Heavy Atoms | 39 |
| Complexity | 926.0 |
Chemical Identifiers
| CAS Number | 68227-66-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)[O-])N=NC3=CN(N=C3C(=O)[O-])C4=CC=CC(=C4)N.[Na+].[Na+] |
| InChIKey | VPCIVFYZUSQJPY-UHFFFAOYSA-L |
Product Overview
RefChem:79927 (CAS 68227-66-7), with molecular formula C23H17N7Na2O6S and molecular weight 565.08 g/mol. IUPAC: disodium;1-(3-aminophenyl)-4-[[2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl]diazenyl]pyrazole-3-carboxylate.
Chemical Property Profile of RefChem:79927
Property Insights of RefChem:79927
The XLogP value of -2.43 indicates that RefChem:79927 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 208.0 Ų indicates high polarity, suggesting RefChem:79927 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:79927 has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:79927?
The CAS number of RefChem:79927 is 68227-66-7.
What is the molecular formula of RefChem:79927?
The molecular formula of RefChem:79927 is C23H17N7Na2O6S.
What is the molecular weight of RefChem:79927?
The molecular weight of RefChem:79927 is 565.08 g/mol.
Where can I buy RefChem:79927?
You can request a quote for RefChem:79927 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79927?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79927 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.