Bromcresol Purple sodium
TL;DR: Bromcresol Purple sodium (CAS 94333-63-8) is a chemical compound with molecular formula C21H15Br2NaO5S and molecular weight 559.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2-[(3-bromo-4-hydroxy-5-methylphenyl)-(3-bromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate
Also Known As: Bromcresol Purple sodium, Bromocresol Purple sodium salt, Bromocresol Purple, sodium salt, Bromocresol purple (sodium salt), Bromocresol Purple sodium salt 10g
| Molecular Formula | C21H15Br2NaO5S |
|---|---|
| Molecular Weight | 559.89 g/mol |
| LogP | 1.98092 |
| Topological Polar Surface Area | 94.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 559.89044 |
| Heavy Atoms | 30 |
| Complexity | 1196.7882 |
Chemical Identifiers
| CAS Number | 94333-63-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)Br)C(=C2C=C(C(=O)C(=C2)Br)C)C3=CC=CC=C3S(=O)(=O)[O-].[Na+] |
Product Overview
Bromcresol Purple sodium (CAS 94333-63-8), with molecular formula C21H15Br2NaO5S and molecular weight 559.89 g/mol. IUPAC: sodium 2-[(3-bromo-4-hydroxy-5-methylphenyl)-(3-bromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate.
Chemical Property Profile of Bromcresol Purple sodium
Property Insights of Bromcresol Purple sodium
The XLogP value of 1.98092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromcresol Purple sodium. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Bromcresol Purple sodium. Following Lipinski's Rule of Five, Bromcresol Purple sodium 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 Bromcresol Purple sodium?
The CAS number of Bromcresol Purple sodium is 94333-63-8.
What is the molecular formula of Bromcresol Purple sodium?
The molecular formula of Bromcresol Purple sodium is C21H15Br2NaO5S.
What is the molecular weight of Bromcresol Purple sodium?
The molecular weight of Bromcresol Purple sodium is 559.89 g/mol.
Where can I buy Bromcresol Purple sodium?
You can request a quote for Bromcresol Purple sodium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromcresol Purple sodium?
Yes, KEHONG BIO provides custom synthesis services for Bromcresol Purple sodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.