RefChem:339153
TL;DR: RefChem:339153 (CAS 6771-94-4) is a chemical compound with molecular formula C31H21N5Na2O9S and molecular weight 685.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;5-[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]benzoyl]amino]-2-hydroxybenzoate
Also Known As: Disodium 5-((4-((6-((4-aminobenzoyl)amino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)benzoyl)amino)salicylate, 229-834-5, Benzoic acid, 5-((4-((6-((4-aminobenzoyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)benzoyl)amino)-2-hydroxy-, disodium salt, Benzoic acid, 5-((4-(2-(6-((4-aminobenzoyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)benzoyl)amino)-2-hydroxy-, sodium salt (1:2), Disodium 5-(4-{[6-(4-aminobenzamido)-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl}benzamido)-2-hydroxybenzoate
| Molecular Formula | C31H21N5Na2O9S |
|---|---|
| Molecular Weight | 685.09 g/mol |
| LogP | -1.9712 |
| Topological Polar Surface Area | 255.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 685.0855 |
| Heavy Atoms | 48 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 6771-94-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC2=CC3=CC(=C(C(=C3C=C2)O)N=NC4=CC=C(C=C4)C(=O)NC5=CC(=C(C=C5)O)C(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+] |
| InChIKey | FVUOWKYUMVGOJA-UHFFFAOYSA-L |
Product Overview
RefChem:339153 (CAS 6771-94-4), with molecular formula C31H21N5Na2O9S and molecular weight 685.09 g/mol. IUPAC: disodium;5-[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]benzoyl]amino]-2-hydroxybenzoate.
Chemical Property Profile of RefChem:339153
Property Insights of RefChem:339153
The XLogP value of -1.9712 indicates that RefChem:339153 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 255.0 Ų indicates high polarity, suggesting RefChem:339153 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:339153 has 5 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:339153?
The CAS number of RefChem:339153 is 6771-94-4.
What is the molecular formula of RefChem:339153?
The molecular formula of RefChem:339153 is C31H21N5Na2O9S.
What is the molecular weight of RefChem:339153?
The molecular weight of RefChem:339153 is 685.09 g/mol.
Where can I buy RefChem:339153?
You can request a quote for RefChem:339153 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:339153?
Yes, KEHONG BIO provides custom synthesis services for RefChem:339153 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.