6-Amino-5-((4-((2-bromo-1-oxoallyl)amino)-2-((4-methyl-3-sulphophenyl)sulphonyl)phenyl)azo)naphthalene-2-sulphonic acid
TL;DR: 6-Amino-5-((4-((2-bromo-1-oxoallyl)amino)-2-((4-methyl-3-sulphophenyl)sulphonyl)phenyl)azo)naphthalene-2-sulphonic acid (CAS 56676-53-0) is a chemical compound with molecular formula C26H21BrN4O9S3 and molecular weight 707.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-[[4-(2-bromoprop-2-enoylamino)-2-(4-methyl-3-sulfophenyl)sulfonylphenyl]diazenyl]naphthalene-2-sulfonic acid
Also Known As: 6-Amino-5-((4-((2-bromo-1-oxoallyl)amino)-2-((4-methyl-3-sulphophenyl)sulphonyl)phenyl)azo)naphthalene-2-sulphonic acid, 6-amino-5-[(e)-{4-[(2-bromoacryloyl)amino]-2-[(4-methyl-3-sulfophenyl)sulfonyl]phenyl}diazenyl]naphthalene-2-sulfonic acid, 6-amino-5-[[4-(2-bromoprop-2-enoylamino)-2-(4-methyl-3-sulfophenyl)sulfonylphenyl]diazenyl]naphthalene-2-sulfonic acid, 6-amino-5-[[4-[ amino]-2-[ sulphonyl]phenyl]azo]naphthalene-2-sulphonicacid, 2-Naphthalenesulfonic acid, 5-((4-((2-bromo-1-oxo-2-propenyl)amino)-2-((4-methyl-3-sulfophenyl)sulfonyl)phenyl)azo)-
| Molecular Formula | C26H21BrN4O9S3 |
|---|---|
| Molecular Weight | 707.97 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 248.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 707.9654 |
| Heavy Atoms | 43 |
| Complexity | 1410.0 |
Chemical Identifiers
| CAS Number | 56676-53-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C(=C)Br)N=NC3=C(C=CC4=C3C=CC(=C4)S(=O)(=O)O)N)S(=O)(=O)O |
| InChIKey | HHHVICDYYBLIAG-UHFFFAOYSA-N |
Product Overview
6-Amino-5-((4-((2-bromo-1-oxoallyl)amino)-2-((4-methyl-3-sulphophenyl)sulphonyl)phenyl)azo)naphthalene-2-sulphonic acid (CAS 56676-53-0), with molecular formula C26H21BrN4O9S3 and molecular weight 707.97 g/mol. IUPAC: 6-amino-5-[[4-(2-bromoprop-2-enoylamino)-2-(4-methyl-3-sulfophenyl)sulfonylphenyl]diazenyl]naphthalene-2-sulfonic acid.
Chemical Property Profile of 6-Amino-5-((4-((2-bromo-1-oxoallyl)amino)-2-((4-methyl-3-sulphophenyl)sulphonyl)phenyl)azo)naphthalene-2-sulphonic acid
Property Insights of 6-Amino-5-((4-((2-bromo-1-oxoallyl)amino)-2-((4-methyl-3-sulphophenyl)sulphonyl)phenyl)azo)naphthalene-2-sulphonic acid
The XLogP value of 3.6 indicates that 6-Amino-5-((4-((2-bromo-1-oxoallyl)amino)-2-((4-methyl-3-sulphophenyl)sulphonyl)phenyl)azo)naphthalene-2-sulphonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 248.0 Ų indicates high polarity, suggesting 6-Amino-5-((4-((2-bromo-1-oxoallyl)amino)-2-((4-methyl-3-sulphophenyl)sulphonyl)phenyl)azo)naphthalene-2-sulphonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-Amino-5-((4-((2-bromo-1-oxoallyl)amino)-2-((4-methyl-3-sulphophenyl)sulphonyl)phenyl)azo)naphthalene-2-sulphonic acid has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Amino-5-((4-((2-bromo-1-oxoallyl)amino)-2-((4-methyl-3-sulphophenyl)sulphonyl)phenyl)azo)naphthalene-2-sulphonic acid?
The CAS number of 6-Amino-5-((4-((2-bromo-1-oxoallyl)amino)-2-((4-methyl-3-sulphophenyl)sulphonyl)phenyl)azo)naphthalene-2-sulphonic acid is 56676-53-0.
What is the molecular formula of 6-Amino-5-((4-((2-bromo-1-oxoallyl)amino)-2-((4-methyl-3-sulphophenyl)sulphonyl)phenyl)azo)naphthalene-2-sulphonic acid?
The molecular formula of 6-Amino-5-((4-((2-bromo-1-oxoallyl)amino)-2-((4-methyl-3-sulphophenyl)sulphonyl)phenyl)azo)naphthalene-2-sulphonic acid is C26H21BrN4O9S3.
What is the molecular weight of 6-Amino-5-((4-((2-bromo-1-oxoallyl)amino)-2-((4-methyl-3-sulphophenyl)sulphonyl)phenyl)azo)naphthalene-2-sulphonic acid?
The molecular weight of 6-Amino-5-((4-((2-bromo-1-oxoallyl)amino)-2-((4-methyl-3-sulphophenyl)sulphonyl)phenyl)azo)naphthalene-2-sulphonic acid is 707.97 g/mol.
Where can I buy 6-Amino-5-((4-((2-bromo-1-oxoallyl)amino)-2-((4-methyl-3-sulphophenyl)sulphonyl)phenyl)azo)naphthalene-2-sulphonic acid?
You can request a quote for 6-Amino-5-((4-((2-bromo-1-oxoallyl)amino)-2-((4-methyl-3-sulphophenyl)sulphonyl)phenyl)azo)naphthalene-2-sulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Amino-5-((4-((2-bromo-1-oxoallyl)amino)-2-((4-methyl-3-sulphophenyl)sulphonyl)phenyl)azo)naphthalene-2-sulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-5-((4-((2-bromo-1-oxoallyl)amino)-2-((4-methyl-3-sulphophenyl)sulphonyl)phenyl)azo)naphthalene-2-sulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.