Bromocresol green (sodium salt)
TL;DR: Bromocresol green (sodium salt) (CAS 99613-11-3) is a chemical compound with molecular formula C21H14Br4O5S and molecular weight 693.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dibromo-4-hydroxy-2-methylphenyl)-(3,5-dibromo-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid
Also Known As: Bromocresol green (sodium salt), 2-((3,5-Dibromo-4-hydroxy-2-methylphenyl)(3,5-dibromo-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl)benzenesulfonic acid, 2-[(3,5-Dibromo-4-hydroxy-2-methylphenyl)(3,5-dibromo-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzene-1-sulfonic acid
| Molecular Formula | C21H14Br4O5S |
|---|---|
| Molecular Weight | 693.73 g/mol |
| LogP | 6.80462 |
| Topological Polar Surface Area | 91.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 693.72955 |
| Heavy Atoms | 31 |
| Complexity | 1337.779 |
Chemical Identifiers
| CAS Number | 99613-11-3 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1C(=C2C=C(C(=O)C(=C2C)Br)Br)C3=CC=CC=C3S(=O)(=O)O)Br)O)Br |
Product Overview
Bromocresol green (sodium salt) (CAS 99613-11-3), with molecular formula C21H14Br4O5S and molecular weight 693.73 g/mol. IUPAC: 2-[(3,5-dibromo-4-hydroxy-2-methylphenyl)-(3,5-dibromo-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid.
Chemical Property Profile of Bromocresol green (sodium salt)
Property Insights of Bromocresol green (sodium salt)
The XLogP value of 6.80462 indicates that Bromocresol green (sodium salt) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Bromocresol green (sodium salt). Following Lipinski's Rule of Five, Bromocresol green (sodium salt) has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bromocresol green (sodium salt)?
The CAS number of Bromocresol green (sodium salt) is 99613-11-3.
What is the molecular formula of Bromocresol green (sodium salt)?
The molecular formula of Bromocresol green (sodium salt) is C21H14Br4O5S.
What is the molecular weight of Bromocresol green (sodium salt)?
The molecular weight of Bromocresol green (sodium salt) is 693.73 g/mol.
Where can I buy Bromocresol green (sodium salt)?
You can request a quote for Bromocresol green (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 green (sodium salt)?
Yes, KEHONG BIO provides custom synthesis services for Bromocresol green (sodium salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.