Darbufelone mesylate
TL;DR: Darbufelone mesylate (CAS 139340-56-0) is a chemical compound with molecular formula C19H28N2O5S2 and molecular weight 428.14395 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-2-amino-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one;methanesulfonic acid
Also Known As: Darbufelone mesylate, Darbufelone mesilate, Darbufelone, Darbufelonemesilate, CI-1004 mesylate
Technical Specifications
| Molecular Formula | C19H28N2O5S2 |
| Molecular Weight | 428.14395 g/mol |
| XLogP | 3.4202 |
| Topological Polar Surface Area (TPSA) | 164.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.14395 Da |
| Heavy Atoms | 28 |
| Complexity | 609.0 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C\2/C(=O)N=C(S2)N.CS(=O)(=O)O |
| InChIKey | BAZGFSKJAVQJJI-CHHCPSLASA-N |
Chemical Property Profile of Darbufelone mesylate
Property Insights of Darbufelone mesylate
The XLogP value of 3.4202 indicates that Darbufelone mesylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.0 Ų indicates high polarity, suggesting Darbufelone mesylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Darbufelone mesylate has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Darbufelone mesylate?
The CAS number of Darbufelone mesylate is 139340-56-0.
What is the molecular formula of Darbufelone mesylate?
The molecular formula of Darbufelone mesylate is C19H28N2O5S2.
What is the molecular weight of Darbufelone mesylate?
The molecular weight of Darbufelone mesylate is 428.14395 g/mol.
Where can I buy Darbufelone mesylate?
You can request a quote for Darbufelone mesylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Darbufelone mesylate?
Yes, CoreyChem provides custom synthesis services for Darbufelone mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.