Bromocresol green
TL;DR: Bromocresol green (CAS 1007478-52-5) is a chemical compound with molecular formula C21H13Br4NaO5S and molecular weight 715.71 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2-[(3,5-dibromo-4-hydroxy-2-methylphenyl)-(3,5-dibromo-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate
Also Known As: Bromocresol green, Bromocresol green (sodium salt), Bromocresol Green sodium salt, 3',3",5',5"-Tetrabromo-m-Cresol-sulphon-phthalein, Sodium Salt, sodium 2-[(3,5-dibromo-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(3,5-dibromo-4-hydroxy-2-methylphenyl)methyl]benzenesulfonate
| Molecular Formula | C21H13Br4NaO5S |
|---|---|
| Molecular Weight | 715.71 g/mol |
| LogP | 3.46602 |
| Topological Polar Surface Area | 94.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 715.7115 |
| Heavy Atoms | 32 |
| Complexity | 1344.199 |
Chemical Identifiers
| CAS Number | 1007478-52-5 |
|---|---|
| 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.[Na+] |
Product Overview
Bromocresol green (CAS 1007478-52-5), with molecular formula C21H13Br4NaO5S and molecular weight 715.71 g/mol. IUPAC: sodium 2-[(3,5-dibromo-4-hydroxy-2-methylphenyl)-(3,5-dibromo-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate.
Chemical Property Profile of Bromocresol green
Property Insights of Bromocresol green
The XLogP value of 3.46602 indicates that Bromocresol green 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 Bromocresol green. Following Lipinski's Rule of Five, Bromocresol green 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 Bromocresol green?
The CAS number of Bromocresol green is 1007478-52-5.
What is the molecular formula of Bromocresol green?
The molecular formula of Bromocresol green is C21H13Br4NaO5S.
What is the molecular weight of Bromocresol green?
The molecular weight of Bromocresol green is 715.71 g/mol.
Where can I buy Bromocresol green?
You can request a quote for Bromocresol green directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromocresol green?
Yes, KEHONG BIO provides custom synthesis services for Bromocresol green and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.