RefChem:118317
TL;DR: RefChem:118317 (CAS 72152-50-2) is a chemical compound with molecular formula C42H27N6Na3O12S2 and molecular weight 940.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;2-[[6-[[4-[(6-benzamido-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-(benzoylamino)-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-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-3-methylbenzoyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:3), Benzoic acid, 2-[2-[6-[[4-[2-[6-(benzoylamino)-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-(benzoylamino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)-3-methylbenzoyl)amino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)benzoate, Benzoic acid, 2-[[6-[[4-[[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-3-methylbenzoyl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-, trisodium salt
| Molecular Formula | C42H27N6Na3O12S2 |
|---|---|
| Molecular Weight | 940.08 g/mol |
| LogP | -1.76828 |
| Topological Polar Surface Area | 319.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 940.08215 |
| Heavy Atoms | 65 |
| Complexity | 1850.0 |
Chemical Identifiers
| CAS Number | 72152-50-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NC2=CC3=CC(=C(C(=C3C=C2)O)N=NC4=CC=CC=C4C(=O)[O-])S(=O)(=O)[O-])N=NC5=C(C=C6C=C(C=CC6=C5O)NC(=O)C7=CC=CC=C7)S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | RJWRCCXNBNASSI-UHFFFAOYSA-K |
Product Overview
RefChem:118317 (CAS 72152-50-2), with molecular formula C42H27N6Na3O12S2 and molecular weight 940.08 g/mol. IUPAC: trisodium;2-[[6-[[4-[(6-benzamido-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-3-methylbenzoyl]amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]benzoate.
Chemical Property Profile of RefChem:118317
Property Insights of RefChem:118317
The XLogP value of -1.76828 indicates that RefChem:118317 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 319.0 Ų indicates high polarity, suggesting RefChem:118317 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:118317 has 4 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:118317?
The CAS number of RefChem:118317 is 72152-50-2.
What is the molecular formula of RefChem:118317?
The molecular formula of RefChem:118317 is C42H27N6Na3O12S2.
What is the molecular weight of RefChem:118317?
The molecular weight of RefChem:118317 is 940.08 g/mol.
Where can I buy RefChem:118317?
You can request a quote for RefChem:118317 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118317?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118317 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.