RefChem:565478
TL;DR: RefChem:565478 (CAS 72152-52-4) is a chemical compound with molecular formula C43H30N7Na3O12S2 and molecular weight 969.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;2-[[6-[[4-[[6-[(3-amino-4-methylbenzoyl)amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]-3-methylbenzoyl]amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]benzoate
Also Known As: Benzoic acid, 2-((6-((4-((6-((3-amino-4-methylbenzoyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-3-methylbenzoyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-, trisodium salt, Benzoic acid, 2-(2-(6-((4-(2-(6-((3-amino-4-methylbenzoyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-3-methylbenzoyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:3), Benzoic acid, 2-[[6-[[4-[[6-[(3-amino-4-methylbenzoyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-3-methylbenzoyl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-, trisodium salt, Benzoic acid, 2-[2-[6-[[4-[2-[6-[(3-amino-4-methylbenzoyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-3-methylbenzoyl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:3), Trisodium 2-((6-((4-((6-((3-amino-4-methylbenzoyl)amino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)-3-methylbenzoyl)amino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)benzoate
| Molecular Formula | C43H30N7Na3O12S2 |
|---|---|
| Molecular Weight | 969.11 g/mol |
| LogP | -1.87766 |
| Topological Polar Surface Area | 345.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 969.1087 |
| Heavy Atoms | 67 |
| Complexity | 1930.0 |
Chemical Identifiers
| CAS Number | 72152-52-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=CC3=CC(=C(C(=C3C=C2)O)N=NC4=C(C=C(C=C4)C(=O)NC5=CC6=CC(=C(C(=C6C=C5)O)N=NC7=CC=CC=C7C(=O)[O-])S(=O)(=O)[O-])C)S(=O)(=O)[O-])N.[Na+].[Na+].[Na+] |
| InChIKey | MYMMJFARYIVOJB-UHFFFAOYSA-K |
Product Overview
RefChem:565478 (CAS 72152-52-4), with molecular formula C43H30N7Na3O12S2 and molecular weight 969.11 g/mol. IUPAC: trisodium;2-[[6-[[4-[[6-[(3-amino-4-methylbenzoyl)amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]-3-methylbenzoyl]amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]benzoate.
Chemical Property Profile of RefChem:565478
Property Insights of RefChem:565478
The XLogP value of -1.87766 indicates that RefChem:565478 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 345.0 Ų indicates high polarity, suggesting RefChem:565478 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:565478 has 5 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:565478?
The CAS number of RefChem:565478 is 72152-52-4.
What is the molecular formula of RefChem:565478?
The molecular formula of RefChem:565478 is C43H30N7Na3O12S2.
What is the molecular weight of RefChem:565478?
The molecular weight of RefChem:565478 is 969.11 g/mol.
Where can I buy RefChem:565478?
You can request a quote for RefChem:565478 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:565478?
Yes, KEHONG BIO provides custom synthesis services for RefChem:565478 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.