Dicresulene
TL;DR: Dicresulene (CAS 78480-14-5) is a chemical compound with molecular formula C15H16O8S2 and molecular weight 388.02866 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxy-5-[(4-hydroxy-2-methyl-5-sulfophenyl)methyl]-4-methylbenzenesulfonic acid
Also Known As: Dicresulene, Dicresuleno, Dicresulenum, Policresulen, Dicresulene Hydrate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H16O8S2 |
| Molecular Weight | 388.02866 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 166.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.02866 Da |
| Heavy Atoms | 25 |
| Complexity | 605.0 |
| SMILES | CC1=CC(=C(C=C1CC2=CC(=C(C=C2C)O)S(=O)(=O)O)S(=O)(=O)O)O |
| InChIKey | CRLWISMVRNPGKN-UHFFFAOYSA-N |
Chemical Property Profile of Dicresulene
Property Insights of Dicresulene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dicresulene. The TPSA of 166.0 Ų indicates high polarity, suggesting Dicresulene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dicresulene has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Dicresulene?
The CAS number of Dicresulene is 78480-14-5.
What is the molecular formula of Dicresulene?
The molecular formula of Dicresulene is C15H16O8S2.
What is the molecular weight of Dicresulene?
The molecular weight of Dicresulene is 388.02866 g/mol.
Where can I buy Dicresulene?
You can request a quote for Dicresulene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dicresulene?
Yes, CoreyChem provides custom synthesis services for Dicresulene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.