5-((4-((2-Bromo-1-oxoallyl)amino)benzoyl)amino)-3-((5-((2-bromo-1-oxoallyl)amino)-2-sulphophenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid
TL;DR: 5-((4-((2-Bromo-1-oxoallyl)amino)benzoyl)amino)-3-((5-((2-bromo-1-oxoallyl)amino)-2-sulphophenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid (CAS 68252-85-7) is a chemical compound with molecular formula C29H21Br2N5O13S3 and molecular weight 900.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-(2-bromoprop-2-enoylamino)benzoyl]amino]-3-[[5-(2-bromoprop-2-enoylamino)-2-sulfophenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
Also Known As: 5-((4-((2-Bromo-1-oxoallyl)amino)benzoyl)amino)-3-((5-((2-bromo-1-oxoallyl)amino)-2-sulphophenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid, (3Z)-5-[[4-(2-bromoprop-2-enoylamino)benzoyl]amino]-3-[[5-(2-bromoprop-2-enoylamino)-2-sulfo-phenyl]hydrazinylidene]-4-oxo-naphthalene-2,7-disulfonic acid, (3E)-5-[[4-(2-bromoprop-2-enoylamino)benzoyl]amino]-3-[[5-(2-bromoprop-2-enoylamino)-2-sulfophenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid, (3Z)-5-[[4-(2-bromoprop-2-enoylamino)benzoyl]amino]-3-[[5-(2-bromoprop-2-enoylamino)-2-sulfophenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid, 3-{2-[5-(2-bromoprop-2-enamido)-2-sulfophenyl]diazen-1-yl}-5-[4-(2-bromoprop-2-enamido)benzamido]-4-hydroxynaphthalene-2,7-disulfonic acid
| Molecular Formula | C29H21Br2N5O13S3 |
|---|---|
| Molecular Weight | 900.87 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 321.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 11 |
| Exact Mass | 900.86646 |
| Heavy Atoms | 52 |
| Complexity | 1770.0 |
Chemical Identifiers
| CAS Number | 68252-85-7 |
|---|---|
| SMILES | C=C(C(=O)NC1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=C3O)N=NC4=C(C=CC(=C4)NC(=O)C(=C)Br)S(=O)(=O)O)S(=O)(=O)O)Br |
| InChIKey | YCNUFQQLPRQJHX-UHFFFAOYSA-N |
Product Overview
5-((4-((2-Bromo-1-oxoallyl)amino)benzoyl)amino)-3-((5-((2-bromo-1-oxoallyl)amino)-2-sulphophenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid (CAS 68252-85-7), with molecular formula C29H21Br2N5O13S3 and molecular weight 900.87 g/mol. IUPAC: 5-[[4-(2-bromoprop-2-enoylamino)benzoyl]amino]-3-[[5-(2-bromoprop-2-enoylamino)-2-sulfophenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid.
Chemical Property Profile of 5-((4-((2-Bromo-1-oxoallyl)amino)benzoyl)amino)-3-((5-((2-bromo-1-oxoallyl)amino)-2-sulphophenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid
Property Insights of 5-((4-((2-Bromo-1-oxoallyl)amino)benzoyl)amino)-3-((5-((2-bromo-1-oxoallyl)amino)-2-sulphophenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid
The XLogP value of 3.6 indicates that 5-((4-((2-Bromo-1-oxoallyl)amino)benzoyl)amino)-3-((5-((2-bromo-1-oxoallyl)amino)-2-sulphophenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 321.0 Ų indicates high polarity, suggesting 5-((4-((2-Bromo-1-oxoallyl)amino)benzoyl)amino)-3-((5-((2-bromo-1-oxoallyl)amino)-2-sulphophenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-((4-((2-Bromo-1-oxoallyl)amino)benzoyl)amino)-3-((5-((2-bromo-1-oxoallyl)amino)-2-sulphophenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid has 7 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-((4-((2-Bromo-1-oxoallyl)amino)benzoyl)amino)-3-((5-((2-bromo-1-oxoallyl)amino)-2-sulphophenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid?
The CAS number of 5-((4-((2-Bromo-1-oxoallyl)amino)benzoyl)amino)-3-((5-((2-bromo-1-oxoallyl)amino)-2-sulphophenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid is 68252-85-7.
What is the molecular formula of 5-((4-((2-Bromo-1-oxoallyl)amino)benzoyl)amino)-3-((5-((2-bromo-1-oxoallyl)amino)-2-sulphophenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid?
The molecular formula of 5-((4-((2-Bromo-1-oxoallyl)amino)benzoyl)amino)-3-((5-((2-bromo-1-oxoallyl)amino)-2-sulphophenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid is C29H21Br2N5O13S3.
What is the molecular weight of 5-((4-((2-Bromo-1-oxoallyl)amino)benzoyl)amino)-3-((5-((2-bromo-1-oxoallyl)amino)-2-sulphophenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid?
The molecular weight of 5-((4-((2-Bromo-1-oxoallyl)amino)benzoyl)amino)-3-((5-((2-bromo-1-oxoallyl)amino)-2-sulphophenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid is 900.87 g/mol.
Where can I buy 5-((4-((2-Bromo-1-oxoallyl)amino)benzoyl)amino)-3-((5-((2-bromo-1-oxoallyl)amino)-2-sulphophenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid?
You can request a quote for 5-((4-((2-Bromo-1-oxoallyl)amino)benzoyl)amino)-3-((5-((2-bromo-1-oxoallyl)amino)-2-sulphophenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((4-((2-Bromo-1-oxoallyl)amino)benzoyl)amino)-3-((5-((2-bromo-1-oxoallyl)amino)-2-sulphophenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-((4-((2-Bromo-1-oxoallyl)amino)benzoyl)amino)-3-((5-((2-bromo-1-oxoallyl)amino)-2-sulphophenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.