Bromocresol purple (sodium salt)
TL;DR: Bromocresol purple (sodium salt) (CAS 62625-30-3) is a chemical compound with molecular formula C21H16Br2O5S and molecular weight 537.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-bromo-4-hydroxy-5-methylphenyl)-(3-bromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid
Also Known As: BROMCRESOL PURPLE, Bromocresol purple (sodium salt), 2-[(3-bromo-4-hydroxy-5-methylphenyl)(3-bromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid, 2-[(3-bromo-4-hydroxy-5-methylphenyl)-(3-bromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid, 2-[(3-BROMO-4-HYDROXY-5-METHYLPHENYL)[(1E)-3-BROMO-5-METHYL-4-OXOCYCLOHEXA-2,5-DIEN-1-YLIDENE]METHYL]BENZENESULFONIC ACID
| Molecular Formula | C21H16Br2O5S |
|---|---|
| Molecular Weight | 537.91 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 537.9085 |
| Heavy Atoms | 29 |
| Complexity | 868.0 |
Chemical Identifiers
| CAS Number | 62625-30-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)Br)C(=C2C=C(C(=O)C(=C2)Br)C)C3=CC=CC=C3S(=O)(=O)O |
| InChIKey | HJZFRHKAXRLQSG-UHFFFAOYSA-N |
Product Overview
Bromocresol purple (sodium salt) (CAS 62625-30-3), with molecular formula C21H16Br2O5S and molecular weight 537.91 g/mol. IUPAC: 2-[(3-bromo-4-hydroxy-5-methylphenyl)-(3-bromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid.
Chemical Property Profile of Bromocresol purple (sodium salt)
Property Insights of Bromocresol purple (sodium salt)
The XLogP value of 5.3 indicates that Bromocresol purple (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 Bromocresol purple (sodium salt). Following Lipinski's Rule of Five, Bromocresol purple (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 Bromocresol purple (sodium salt)?
The CAS number of Bromocresol purple (sodium salt) is 62625-30-3.
What is the molecular formula of Bromocresol purple (sodium salt)?
The molecular formula of Bromocresol purple (sodium salt) is C21H16Br2O5S.
What is the molecular weight of Bromocresol purple (sodium salt)?
The molecular weight of Bromocresol purple (sodium salt) is 537.91 g/mol.
Where can I buy Bromocresol purple (sodium salt)?
You can request a quote for Bromocresol purple (sodium salt) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromocresol purple (sodium salt)?
Yes, KEHONG BIO provides custom synthesis services for Bromocresol purple (sodium salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.