RefChem:118482
TL;DR: RefChem:118482 (CAS 91996-52-0) is a chemical compound with molecular formula C30H20N6Na2O8S and molecular weight 670.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;5-[[4-[[2-[(7-amino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]phenyl]carbamoyl]phenyl]diazenyl]-2-hydroxybenzoate
Also Known As: Benzoic acid, 5-((4-(((((7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo)phenyl)amino)carbonyl)phenyl)azo)-2-hydroxy-, disodium salt, Benzoic acid, 5-(2-(4-((((2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)phenyl)amino)carbonyl)phenyl)diazenyl)-2-hydroxy-, sodium salt (1:2), Benzoic acid, 5-[2-[4-[[[[2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]phenyl]amino]carbonyl]phenyl]diazenyl]-2-hydroxy-, sodium salt (1:2), Benzoic acid, 5-[[4-[[[[(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo]phenyl]amino]carbonyl]phenyl]azo]-2-hydroxy-, disodium salt, Disodium 5-{[4-({2-[(7-amino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]phenyl}carbamoyl)phenyl]diazenyl}-2-hydroxybenzoate
| Molecular Formula | C30H20N6Na2O8S |
|---|---|
| Molecular Weight | 670.09 g/mol |
| LogP | -0.8081 |
| Topological Polar Surface Area | 242.35 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 670.0859 |
| Heavy Atoms | 47 |
| Complexity | 2160.9424 |
Chemical Identifiers
| CAS Number | 91996-52-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)[O-])N=NC4=C(C=C5C=CC(=CC5=C4O)N)S(=O)(=O)[O-].[Na+].[Na+] |
Product Overview
RefChem:118482 (CAS 91996-52-0), with molecular formula C30H20N6Na2O8S and molecular weight 670.09 g/mol. IUPAC: disodium;5-[[4-[[2-[(7-amino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]phenyl]carbamoyl]phenyl]diazenyl]-2-hydroxybenzoate.
Chemical Property Profile of RefChem:118482
Property Insights of RefChem:118482
The XLogP value of -0.8081 indicates that RefChem:118482 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 242.35 Ų indicates high polarity, suggesting RefChem:118482 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:118482 has 4 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:118482?
The CAS number of RefChem:118482 is 91996-52-0.
What is the molecular formula of RefChem:118482?
The molecular formula of RefChem:118482 is C30H20N6Na2O8S.
What is the molecular weight of RefChem:118482?
The molecular weight of RefChem:118482 is 670.09 g/mol.
Where can I buy RefChem:118482?
You can request a quote for RefChem:118482 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118482?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118482 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.