RefChem:886957
TL;DR: RefChem:886957 (CAS 93939-97-0) is a chemical compound with molecular formula C18H12N5NaO8S and molecular weight 481.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 4-hydroxy-3-[(2E)-2-[(5Z)-5-[(4-nitrophenyl)hydrazinylidene]-4,6-dioxocyclohex-2-en-1-ylidene]hydrazinyl]benzenesulfonate
Also Known As: EINECS 300-388-4, Sodium 3-((2,4-dihydroxy-3-((4-nitrophenyl)azo)phenyl)azo)-4-hydroxybenzenesulphonate, Sodium 3-[[2,4-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxybenzenesulphonate, 300-388-4, SODIUM 3-[[2,4-DIHYDROXY-3-[(4-NITROPHENYL)AZO]PHENYL]AZO]-4-HYDROXYBENZENESULFONATE
| Molecular Formula | C18H12N5NaO8S |
|---|---|
| Molecular Weight | 481.03 g/mol |
| LogP | -3.3399 |
| Topological Polar Surface Area | 203.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.03043 |
| Heavy Atoms | 33 |
| Complexity | 1531.7253 |
Chemical Identifiers
| CAS Number | 93939-97-0 |
|---|---|
| SMILES | C1=CC(=CC=C1N/N=C\2/C(=O)C=C/C(=N\NC3=C(C=CC(=C3)S(=O)(=O)[O-])O)/C2=O)[N+](=O)[O-].[Na+] |
Product Overview
RefChem:886957 (CAS 93939-97-0), with molecular formula C18H12N5NaO8S and molecular weight 481.03 g/mol. IUPAC: sodium 4-hydroxy-3-[(2E)-2-[(5Z)-5-[(4-nitrophenyl)hydrazinylidene]-4,6-dioxocyclohex-2-en-1-ylidene]hydrazinyl]benzenesulfonate.
Chemical Property Profile of RefChem:886957
Property Insights of RefChem:886957
The XLogP value of -3.3399 indicates that RefChem:886957 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 203.49 Ų indicates high polarity, suggesting RefChem:886957 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:886957 has 3 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:886957?
The CAS number of RefChem:886957 is 93939-97-0.
What is the molecular formula of RefChem:886957?
The molecular formula of RefChem:886957 is C18H12N5NaO8S.
What is the molecular weight of RefChem:886957?
The molecular weight of RefChem:886957 is 481.03 g/mol.
Where can I buy RefChem:886957?
You can request a quote for RefChem:886957 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:886957?
Yes, KEHONG BIO provides custom synthesis services for RefChem:886957 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.