Dibromosulphthalein
TL;DR: Dibromosulphthalein (CAS 17199-35-8) is a chemical compound with molecular formula C20H12Br2O10S2 and molecular weight 633.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[4,7-dibromo-3-oxo-1-(4-sulfooxyphenyl)-2-benzofuran-1-yl]phenyl] hydrogen sulfate
Also Known As: Dibromosulphthalein, Dibromsulphalein, Dibromosulfthalein, Dibromsulphthalein, Dibromosulfothalein
| Molecular Formula | C20H12Br2O10S2 |
|---|---|
| Molecular Weight | 633.82 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 635.82184 |
| Heavy Atoms | 34 |
| Complexity | 906.0 |
Chemical Identifiers
| CAS Number | 17199-35-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C2(C3=C(C=CC(=C3C(=O)O2)Br)Br)C4=CC=C(C=C4)OS(=O)(=O)O)OS(=O)(=O)O |
| InChIKey | AANIYWVYGNJWIU-UHFFFAOYSA-N |
Product Overview
Dibromosulphthalein (CAS 17199-35-8), with molecular formula C20H12Br2O10S2 and molecular weight 633.82 g/mol. IUPAC: [4-[4,7-dibromo-3-oxo-1-(4-sulfooxyphenyl)-2-benzofuran-1-yl]phenyl] hydrogen sulfate.
Chemical Property Profile of Dibromosulphthalein
Property Insights of Dibromosulphthalein
The XLogP value of 4.0 indicates that Dibromosulphthalein is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting Dibromosulphthalein may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dibromosulphthalein has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dibromosulphthalein?
The CAS number of Dibromosulphthalein is 17199-35-8.
What is the molecular formula of Dibromosulphthalein?
The molecular formula of Dibromosulphthalein is C20H12Br2O10S2.
What is the molecular weight of Dibromosulphthalein?
The molecular weight of Dibromosulphthalein is 633.82 g/mol.
Where can I buy Dibromosulphthalein?
You can request a quote for Dibromosulphthalein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibromosulphthalein?
Yes, KEHONG BIO provides custom synthesis services for Dibromosulphthalein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.