RefChem:118429
TL;DR: RefChem:118429 (CAS 65072-26-6) is a chemical compound with molecular formula C28H17N4Na3O11S2 and molecular weight 718.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;4-[[1-hydroxy-6-[(5-hydroxy-7-sulfonatonaphthalen-2-yl)carbamoylamino]-3-sulfonatonaphthalen-2-yl]diazenyl]benzoate
Also Known As: Benzoic acid, 4-((1-hydroxy-6-((((5-hydroxy-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)azo)-, trisodium salt, Benzoic acid, 4-(2-(1-hydroxy-6-((((5-hydroxy-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:3), Benzoic acid, 4-[2-[1-hydroxy-6-[[[(5-hydroxy-7-sulfo-2-naphthalenyl)amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:3), Trisodium 4-((1-hydroxy-6-((((5-hydroxy-7-sulphonato-2-naphthyl)amino)carbonyl)amino)-3-sulphonato-2-naphthyl)azo)benzoate, trisodium4-[[1-hydroxy-6-[[[ amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate
| Molecular Formula | C28H17N4Na3O11S2 |
|---|---|
| Molecular Weight | 718.00 g/mol |
| LogP | -5.35 |
| Topological Polar Surface Area | 278.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 4 |
| Exact Mass | 718.0028 |
| Heavy Atoms | 48 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 65072-26-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)[O-])N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=CC(=CC(=C5C=C4)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | HNRZVEBLTQZBGJ-UHFFFAOYSA-K |
Product Overview
RefChem:118429 (CAS 65072-26-6), with molecular formula C28H17N4Na3O11S2 and molecular weight 718.00 g/mol. IUPAC: trisodium;4-[[1-hydroxy-6-[(5-hydroxy-7-sulfonatonaphthalen-2-yl)carbamoylamino]-3-sulfonatonaphthalen-2-yl]diazenyl]benzoate.
Chemical Property Profile of RefChem:118429
Property Insights of RefChem:118429
The XLogP value of -5.35 indicates that RefChem:118429 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 278.0 Ų indicates high polarity, suggesting RefChem:118429 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:118429 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:118429?
The CAS number of RefChem:118429 is 65072-26-6.
What is the molecular formula of RefChem:118429?
The molecular formula of RefChem:118429 is C28H17N4Na3O11S2.
What is the molecular weight of RefChem:118429?
The molecular weight of RefChem:118429 is 718.00 g/mol.
Where can I buy RefChem:118429?
You can request a quote for RefChem:118429 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118429?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118429 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.