![2-[(3-Bromo-4-hydroxyphenyl)(3-bromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid structure](/static/products/890/890090-76-3.png)
2-[(3-Bromo-4-hydroxyphenyl)(3-bromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid
TL;DR: 2-[(3-Bromo-4-hydroxyphenyl)(3-bromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid (CAS 890090-76-3) is a chemical compound with molecular formula C19H12Br2O5S and molecular weight 509.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-bromo-4-hydroxyphenyl)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid
Also Known As: 2-[(3-Bromo-4-hydroxyphenyl)(3-bromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid, 2-[(3-Bromo-4-hydroxyphenyl)(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzene-1-sulfonic acid, 2-[(3-bromo-4-hydroxyphenyl)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid
| Molecular Formula | C19H12Br2O5S |
|---|---|
| Molecular Weight | 509.88 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 509.87723 |
| Heavy Atoms | 27 |
| Complexity | 793.0 |
Chemical Identifiers
| CAS Number | 890090-76-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=C2C=CC(=O)C(=C2)Br)C3=CC(=C(C=C3)O)Br)S(=O)(=O)O |
| InChIKey | CEXGBCMYGDPODC-UHFFFAOYSA-N |
Product Overview
2-[(3-Bromo-4-hydroxyphenyl)(3-bromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid (CAS 890090-76-3), with molecular formula C19H12Br2O5S and molecular weight 509.88 g/mol. IUPAC: 2-[(3-bromo-4-hydroxyphenyl)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid.
Chemical Property Profile of 2-[(3-Bromo-4-hydroxyphenyl)(3-bromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid
Property Insights of 2-[(3-Bromo-4-hydroxyphenyl)(3-bromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid
The XLogP value of 4.6 indicates that 2-[(3-Bromo-4-hydroxyphenyl)(3-bromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Bromo-4-hydroxyphenyl)(3-bromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid. Following Lipinski's Rule of Five, 2-[(3-Bromo-4-hydroxyphenyl)(3-bromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(3-Bromo-4-hydroxyphenyl)(3-bromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid?
The CAS number of 2-[(3-Bromo-4-hydroxyphenyl)(3-bromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid is 890090-76-3.
What is the molecular formula of 2-[(3-Bromo-4-hydroxyphenyl)(3-bromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid?
The molecular formula of 2-[(3-Bromo-4-hydroxyphenyl)(3-bromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid is C19H12Br2O5S.
What is the molecular weight of 2-[(3-Bromo-4-hydroxyphenyl)(3-bromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid?
The molecular weight of 2-[(3-Bromo-4-hydroxyphenyl)(3-bromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid is 509.88 g/mol.
Where can I buy 2-[(3-Bromo-4-hydroxyphenyl)(3-bromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid?
You can request a quote for 2-[(3-Bromo-4-hydroxyphenyl)(3-bromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Bromo-4-hydroxyphenyl)(3-bromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Bromo-4-hydroxyphenyl)(3-bromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.