Sodium bromothymol blue
TL;DR: Sodium bromothymol blue (CAS 33551-93-8) is a chemical compound with molecular formula C27H27Br2NaO5S and molecular weight 643.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2-[(E)-(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]benzenesulfonate
Also Known As: Sodium bromothymol blue, Bromthymol Blue sodium, Bromothymol Blue sodium salt, Bromothymol Blue, water soluble, Bromothymol Blue, sodium salt
| Molecular Formula | C27H27Br2NaO5S |
|---|---|
| Molecular Weight | 643.98 g/mol |
| LogP | 4.13052 |
| Topological Polar Surface Area | 94.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 643.9844 |
| Heavy Atoms | 36 |
| Complexity | 1434.2996 |
Chemical Identifiers
| CAS Number | 33551-93-8 |
|---|---|
| SMILES | CC1=C(C=C(C(=C1Br)O)C(C)C)/C(=C\2/C=C(C(=O)C(=C2C)Br)C(C)C)/C3=CC=CC=C3S(=O)(=O)[O-].[Na+] |
Product Overview
Sodium bromothymol blue (CAS 33551-93-8), with molecular formula C27H27Br2NaO5S and molecular weight 643.98 g/mol. IUPAC: sodium 2-[(E)-(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]benzenesulfonate.
Chemical Property Profile of Sodium bromothymol blue
Property Insights of Sodium bromothymol blue
The XLogP value of 4.13052 indicates that Sodium bromothymol blue is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium bromothymol blue. Following Lipinski's Rule of Five, Sodium bromothymol blue has 1 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 Sodium bromothymol blue?
The CAS number of Sodium bromothymol blue is 33551-93-8.
What is the molecular formula of Sodium bromothymol blue?
The molecular formula of Sodium bromothymol blue is C27H27Br2NaO5S.
What is the molecular weight of Sodium bromothymol blue?
The molecular weight of Sodium bromothymol blue is 643.98 g/mol.
Where can I buy Sodium bromothymol blue?
You can request a quote for Sodium bromothymol blue directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium bromothymol blue?
Yes, KEHONG BIO provides custom synthesis services for Sodium bromothymol blue and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.