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 622.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C27H28Br2O5S |
|---|---|
| Molecular Weight | 622.00 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 624.00037 |
| Heavy Atoms | 35 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 1217294-96-6 |
|---|---|
| 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 |
Product Overview
Bromothymol blue (sodium salt) (CAS 1217294-96-6), with molecular formula C27H28Br2O5S and molecular weight 622.00 g/mol. IUPAC: 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.
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
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 622.00 g/mol.
Where can I buy Bromothymol blue (sodium salt)?
You can request a quote for Bromothymol blue (sodium salt) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromothymol blue (sodium salt)?
Yes, KEHONG BIO provides custom synthesis services for Bromothymol blue (sodium salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.