![1-Amino-4-[[3-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid structure](/static/products/159/15958-64-2.png)
1-Amino-4-[[3-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
TL;DR: 1-Amino-4-[[3-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid (CAS 15958-64-2) is a chemical compound with molecular formula C26H22BrN3O9S2 and molecular weight 663.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-[3-(2-bromoprop-2-enoylamino)-2,4,6-trimethyl-5-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: 1-Amino-4-[[3-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid, 1-amino-4-[3-(2-bromoprop-2-enoylamino)-2,4,6-trimethyl-5-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid
| Molecular Formula | C26H22BrN3O9S2 |
|---|---|
| Molecular Weight | 663.00 g/mol |
| LogP | 4.05356 |
| Topological Polar Surface Area | 210.03 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 662.9981 |
| Heavy Atoms | 41 |
| Complexity | 1968.345 |
Chemical Identifiers
| CAS Number | 15958-64-2 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1NC(=O)C(=C)Br)C)S(=O)(=O)O)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O |
Product Overview
1-Amino-4-[[3-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid (CAS 15958-64-2), with molecular formula C26H22BrN3O9S2 and molecular weight 663.00 g/mol. IUPAC: 1-amino-4-[3-(2-bromoprop-2-enoylamino)-2,4,6-trimethyl-5-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of 1-Amino-4-[[3-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
Property Insights of 1-Amino-4-[[3-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
The XLogP value of 4.05356 indicates that 1-Amino-4-[[3-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 210.03 Ų indicates high polarity, suggesting 1-Amino-4-[[3-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Amino-4-[[3-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Amino-4-[[3-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid?
The CAS number of 1-Amino-4-[[3-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid is 15958-64-2.
What is the molecular formula of 1-Amino-4-[[3-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid?
The molecular formula of 1-Amino-4-[[3-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid is C26H22BrN3O9S2.
What is the molecular weight of 1-Amino-4-[[3-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid?
The molecular weight of 1-Amino-4-[[3-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid is 663.00 g/mol.
Where can I buy 1-Amino-4-[[3-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid?
You can request a quote for 1-Amino-4-[[3-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Amino-4-[[3-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Amino-4-[[3-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.