Cresol red
TL;DR: Cresol red (CAS 1231953-74-4) is a chemical compound with molecular formula C21H17NaO5S and molecular weight 404.06943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
sodium 2-[(4-hydroxy-3-methylphenyl)-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate
Also Known As: Cresol red, o-Cresolsulfonphthalein, Cresol Red sodium salt, Sodium (Z)-2-((4-hydroxy-3-methylphenyl)(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl)benzenesulfonate, sodium 2-[(4-hydroxy-3-methylphenyl)-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate
Technical Specifications
| Molecular Formula | C21H17NaO5S |
| Molecular Weight | 404.06943 g/mol |
| XLogP | 0.49582 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.06943 Da |
| Heavy Atoms | 28 |
| Complexity | 790.0 |
| SMILES | CC1=CC(=C(C2=CC(=C(C=C2)O)C)C3=CC=CC=C3S(=O)(=O)[O-])C=CC1=O.[Na+] |
| InChIKey | GBXGEGUVARLBPB-UHFFFAOYSA-M |
Chemical Property Profile of Cresol red
Property Insights of Cresol red
The XLogP value of 0.49582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cresol red. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cresol red. Following Lipinski's Rule of Five, Cresol red has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Cresol red?
The CAS number of Cresol red is 1231953-74-4.
What is the molecular formula of Cresol red?
The molecular formula of Cresol red is C21H17NaO5S.
What is the molecular weight of Cresol red?
The molecular weight of Cresol red is 404.06943 g/mol.
Where can I buy Cresol red?
You can request a quote for Cresol red directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cresol red?
Yes, CoreyChem provides custom synthesis services for Cresol red and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.