Bromothymol blue (sodium salt)
TL;DR: Bromothymol blue (sodium salt) (CAS 1217294-96-6) is a chemical compound with molecular formula C27H28Br2O5S and molecular weight 622.00244 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-(3-bromo-2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid
Also Known As: Bromothymol blue (sodium salt), 2-[(3-Bromo-4-hydroxy-5-isopropyl-2-methylphenyl)(3-bromo-5-isopropyl-2-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid, 2-{[3-Bromo-4-hydroxy-2-methyl-5-(propan-2-yl)phenyl][3-bromo-2-methyl-4-oxo-5-(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]methyl}benzene-1-sulfonic acid
Technical Specifications
| Molecular Formula | C27H28Br2O5S |
| Molecular Weight | 622.00244 g/mol |
| XLogP | 7.1 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 624.00037 Da |
| Heavy Atoms | 35 |
| Complexity | 1030.0 |
| SMILES | CC1=C(C=C(C(=C1Br)O)C(C)C)C(=C2C=C(C(=O)C(=C2C)Br)C(C)C)C3=CC=CC=C3S(=O)(=O)O |
| InChIKey | WXPNWDZVBHQEAA-UHFFFAOYSA-N |
Chemical Property Profile of Bromothymol blue (sodium salt)
Property Insights of Bromothymol blue (sodium salt)
The XLogP value of 7.1 indicates that Bromothymol blue (sodium salt) 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 Bromothymol blue (sodium salt). Following Lipinski's Rule of Five, Bromothymol blue (sodium salt) has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Bromothymol blue (sodium salt)?
The CAS number of Bromothymol blue (sodium salt) is 1217294-96-6.
What is the molecular formula of Bromothymol blue (sodium salt)?
The molecular formula of Bromothymol blue (sodium salt) is C27H28Br2O5S.
What is the molecular weight of Bromothymol blue (sodium salt)?
The molecular weight of Bromothymol blue (sodium salt) is 622.00244 g/mol.
Where can I buy Bromothymol blue (sodium salt)?
You can request a quote for Bromothymol blue (sodium salt) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bromothymol blue (sodium salt)?
Yes, CoreyChem provides custom synthesis services for Bromothymol blue (sodium salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.