Bromochlorophenol blue
TL;DR: Bromochlorophenol blue (CAS 2553-71-1) is a chemical compound with molecular formula C19H10Br2Cl2O5S and molecular weight 577.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-4-[3-(3-bromo-5-chloro-4-hydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-6-chlorophenol
Also Known As: Bromochlorophenol blue, Bromchlorophenol blue, Bromchlorphenolblau, BROMOCHLOROPHENOLBLUE, Dibromodichlorophenolsulphonphthalein
| Molecular Formula | C19H10Br2Cl2O5S |
|---|---|
| Molecular Weight | 577.80 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 579.79724 |
| Heavy Atoms | 29 |
| Complexity | 690.0 |
Chemical Identifiers
| CAS Number | 2553-71-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC(=C(C(=C3)Br)O)Cl)C4=CC(=C(C(=C4)Br)O)Cl |
| InChIKey | MDGFKZKMIQQRPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromochlorophenol blue (CAS 2553-71-1), with molecular formula C19H10Br2Cl2O5S and molecular weight 577.80 g/mol. IUPAC: 2-bromo-4-[3-(3-bromo-5-chloro-4-hydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-6-chlorophenol.
Chemical Property Profile of Bromochlorophenol blue
Property Insights of Bromochlorophenol blue
The XLogP value of 5.7 indicates that Bromochlorophenol blue is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Bromochlorophenol blue. Following Lipinski's Rule of Five, Bromochlorophenol blue 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 Bromochlorophenol blue?
The CAS number of Bromochlorophenol blue is 2553-71-1.
What is the molecular formula of Bromochlorophenol blue?
The molecular formula of Bromochlorophenol blue is C19H10Br2Cl2O5S.
What is the molecular weight of Bromochlorophenol blue?
The molecular weight of Bromochlorophenol blue is 577.80 g/mol.
Where can I buy Bromochlorophenol blue?
You can request a quote for Bromochlorophenol blue directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromochlorophenol blue?
Yes, KEHONG BIO provides custom synthesis services for Bromochlorophenol blue and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.