Tetrabromosulfonephthalein
TL;DR: Tetrabromosulfonephthalein (CAS 77172-72-6) is a chemical compound with molecular formula C19H10Br4O5S and molecular weight 665.70 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5-tetrabromo-6-[(4-hydroxyphenyl)-(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid
Also Known As: Tetrabromosulfonephthalein, 3456-Tbsp, 3,4,5,6-Tetrabromophenolsulfonephthalein, 3,5,6-Tetrabromophenolsulfonephthalein, 3,4,5,6-Tetrabromophenolsulfonphthaleine
| Molecular Formula | C19H10Br4O5S |
|---|---|
| Molecular Weight | 665.70 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 669.69415 |
| Heavy Atoms | 29 |
| Complexity | 821.0 |
Chemical Identifiers
| CAS Number | 77172-72-6 |
|---|---|
| SMILES | C1=CC(=O)C=CC1=C(C2=CC=C(C=C2)O)C3=C(C(=C(C(=C3Br)Br)Br)Br)S(=O)(=O)O |
| InChIKey | FUQZKEYZOQPRRU-UHFFFAOYSA-N |
Product Overview
Tetrabromosulfonephthalein (CAS 77172-72-6), with molecular formula C19H10Br4O5S and molecular weight 665.70 g/mol. IUPAC: 2,3,4,5-tetrabromo-6-[(4-hydroxyphenyl)-(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid.
Chemical Property Profile of Tetrabromosulfonephthalein
Property Insights of Tetrabromosulfonephthalein
The XLogP value of 5.7 indicates that Tetrabromosulfonephthalein 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 Tetrabromosulfonephthalein. Following Lipinski's Rule of Five, Tetrabromosulfonephthalein 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 Tetrabromosulfonephthalein?
The CAS number of Tetrabromosulfonephthalein is 77172-72-6.
What is the molecular formula of Tetrabromosulfonephthalein?
The molecular formula of Tetrabromosulfonephthalein is C19H10Br4O5S.
What is the molecular weight of Tetrabromosulfonephthalein?
The molecular weight of Tetrabromosulfonephthalein is 665.70 g/mol.
Where can I buy Tetrabromosulfonephthalein?
You can request a quote for Tetrabromosulfonephthalein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrabromosulfonephthalein?
Yes, KEHONG BIO provides custom synthesis services for Tetrabromosulfonephthalein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.