![[2,3-Dibromo-6-hydroxy-4-(sulfooxymethyl)phenyl] hydrogen sulfate structure](/static/products/400/40089-29-0.png)
[2,3-Dibromo-6-hydroxy-4-(sulfooxymethyl)phenyl] hydrogen sulfate
TL;DR: [2,3-Dibromo-6-hydroxy-4-(sulfooxymethyl)phenyl] hydrogen sulfate (CAS 40089-29-0) is a chemical compound with molecular formula C7H6Br2O9S2 and molecular weight 455.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,3-dibromo-6-hydroxy-4-(sulfooxymethyl)phenyl] hydrogen sulfate
Also Known As: 3,4-dibromo-1-hydroxy-2-sulfooxy-5-(sulfooxymethyl)benzene, [2,3-dibromo-6-hydroxy-4-(sulfooxymethyl)phenyl] hydrogen sulfate
| Molecular Formula | C7H6Br2O9S2 |
|---|---|
| Molecular Weight | 455.78 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.782 |
| Heavy Atoms | 20 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 40089-29-0 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1O)OS(=O)(=O)O)Br)Br)COS(=O)(=O)O |
| InChIKey | YITOAVBSYQIYTR-UHFFFAOYSA-N |
Product Overview
[2,3-Dibromo-6-hydroxy-4-(sulfooxymethyl)phenyl] hydrogen sulfate (CAS 40089-29-0), with molecular formula C7H6Br2O9S2 and molecular weight 455.78 g/mol. IUPAC: [2,3-dibromo-6-hydroxy-4-(sulfooxymethyl)phenyl] hydrogen sulfate.
Chemical Property Profile of [2,3-Dibromo-6-hydroxy-4-(sulfooxymethyl)phenyl] hydrogen sulfate
Property Insights of [2,3-Dibromo-6-hydroxy-4-(sulfooxymethyl)phenyl] hydrogen sulfate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2,3-Dibromo-6-hydroxy-4-(sulfooxymethyl)phenyl] hydrogen sulfate. The TPSA of 164.0 Ų indicates high polarity, suggesting [2,3-Dibromo-6-hydroxy-4-(sulfooxymethyl)phenyl] hydrogen sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [2,3-Dibromo-6-hydroxy-4-(sulfooxymethyl)phenyl] hydrogen sulfate has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [2,3-Dibromo-6-hydroxy-4-(sulfooxymethyl)phenyl] hydrogen sulfate?
The CAS number of [2,3-Dibromo-6-hydroxy-4-(sulfooxymethyl)phenyl] hydrogen sulfate is 40089-29-0.
What is the molecular formula of [2,3-Dibromo-6-hydroxy-4-(sulfooxymethyl)phenyl] hydrogen sulfate?
The molecular formula of [2,3-Dibromo-6-hydroxy-4-(sulfooxymethyl)phenyl] hydrogen sulfate is C7H6Br2O9S2.
What is the molecular weight of [2,3-Dibromo-6-hydroxy-4-(sulfooxymethyl)phenyl] hydrogen sulfate?
The molecular weight of [2,3-Dibromo-6-hydroxy-4-(sulfooxymethyl)phenyl] hydrogen sulfate is 455.78 g/mol.
Where can I buy [2,3-Dibromo-6-hydroxy-4-(sulfooxymethyl)phenyl] hydrogen sulfate?
You can request a quote for [2,3-Dibromo-6-hydroxy-4-(sulfooxymethyl)phenyl] hydrogen sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2,3-Dibromo-6-hydroxy-4-(sulfooxymethyl)phenyl] hydrogen sulfate?
Yes, KEHONG BIO provides custom synthesis services for [2,3-Dibromo-6-hydroxy-4-(sulfooxymethyl)phenyl] hydrogen sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.