1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-6-((5-((2-bromo-1-oxo-2-propenyl)amino)-2-sulfophenyl)azo)-5-hydroxy-, trisodium salt
TL;DR: 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-6-((5-((2-bromo-1-oxo-2-propenyl)amino)-2-sulfophenyl)azo)-5-hydroxy-, trisodium salt (CAS 70224-86-1) is a chemical compound with molecular formula C21H14BrN4Na3O12S3 and molecular weight 757.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;4-acetamido-6-[[5-(2-bromoprop-2-enoylamino)-2-sulfonatophenyl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonate
Also Known As: 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-6-((5-((2-bromo-1-oxo-2-propenyl)amino)-2-sulfophenyl)azo)-5-hydroxy-, trisodium salt, 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-6-(2-(5-((2-bromo-1-oxo-2-propen-1-yl)amino)-2-sulfophenyl)diazenyl)-5-hydroxy-, sodium salt (1:3), 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-6-[[5-[(2-bromo-1-oxo-2-propenyl)amino]-2-sulfophenyl]azo]-5-hydroxy-, trisodium salt, 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-6-[2-[5-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2-sulfophenyl]diazenyl]-5-hydroxy-, sodium salt (1:3), 1,7-Naphthalenedisulfonicacid,4-(acetylamino)-6-[2-[5-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2-sulfophenyl]diazenyl]-5-hydroxy-,sodium salt (1:3)
| Molecular Formula | C21H14BrN4Na3O12S3 |
|---|---|
| Molecular Weight | 757.86 g/mol |
| LogP | -6.5094 |
| Topological Polar Surface Area | 300.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 5 |
| Exact Mass | 757.8647 |
| Heavy Atoms | 44 |
| Complexity | 1350.0 |
Chemical Identifiers
| CAS Number | 70224-86-1 |
|---|---|
| SMILES | CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)[O-])C=C(C(=C2O)N=NC3=C(C=CC(=C3)NC(=O)C(=C)Br)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | DWWWWJFNJPTPOC-UHFFFAOYSA-K |
Product Overview
1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-6-((5-((2-bromo-1-oxo-2-propenyl)amino)-2-sulfophenyl)azo)-5-hydroxy-, trisodium salt (CAS 70224-86-1), with molecular formula C21H14BrN4Na3O12S3 and molecular weight 757.86 g/mol. IUPAC: trisodium;4-acetamido-6-[[5-(2-bromoprop-2-enoylamino)-2-sulfonatophenyl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonate.
Chemical Property Profile of 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-6-((5-((2-bromo-1-oxo-2-propenyl)amino)-2-sulfophenyl)azo)-5-hydroxy-, trisodium salt
Property Insights of 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-6-((5-((2-bromo-1-oxo-2-propenyl)amino)-2-sulfophenyl)azo)-5-hydroxy-, trisodium salt
The XLogP value of -6.5094 indicates that 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-6-((5-((2-bromo-1-oxo-2-propenyl)amino)-2-sulfophenyl)azo)-5-hydroxy-, trisodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 300.0 Ų indicates high polarity, suggesting 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-6-((5-((2-bromo-1-oxo-2-propenyl)amino)-2-sulfophenyl)azo)-5-hydroxy-, trisodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-6-((5-((2-bromo-1-oxo-2-propenyl)amino)-2-sulfophenyl)azo)-5-hydroxy-, trisodium salt has 3 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-6-((5-((2-bromo-1-oxo-2-propenyl)amino)-2-sulfophenyl)azo)-5-hydroxy-, trisodium salt?
The CAS number of 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-6-((5-((2-bromo-1-oxo-2-propenyl)amino)-2-sulfophenyl)azo)-5-hydroxy-, trisodium salt is 70224-86-1.
What is the molecular formula of 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-6-((5-((2-bromo-1-oxo-2-propenyl)amino)-2-sulfophenyl)azo)-5-hydroxy-, trisodium salt?
The molecular formula of 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-6-((5-((2-bromo-1-oxo-2-propenyl)amino)-2-sulfophenyl)azo)-5-hydroxy-, trisodium salt is C21H14BrN4Na3O12S3.
What is the molecular weight of 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-6-((5-((2-bromo-1-oxo-2-propenyl)amino)-2-sulfophenyl)azo)-5-hydroxy-, trisodium salt?
The molecular weight of 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-6-((5-((2-bromo-1-oxo-2-propenyl)amino)-2-sulfophenyl)azo)-5-hydroxy-, trisodium salt is 757.86 g/mol.
Where can I buy 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-6-((5-((2-bromo-1-oxo-2-propenyl)amino)-2-sulfophenyl)azo)-5-hydroxy-, trisodium salt?
You can request a quote for 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-6-((5-((2-bromo-1-oxo-2-propenyl)amino)-2-sulfophenyl)azo)-5-hydroxy-, trisodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-6-((5-((2-bromo-1-oxo-2-propenyl)amino)-2-sulfophenyl)azo)-5-hydroxy-, trisodium salt?
Yes, KEHONG BIO provides custom synthesis services for 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-6-((5-((2-bromo-1-oxo-2-propenyl)amino)-2-sulfophenyl)azo)-5-hydroxy-, trisodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.