Darbufelone mesylate
TL;DR: Darbufelone mesylate (CAS 139340-56-0) is a chemical compound with molecular formula C19H28N2O5S2 and molecular weight 428.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
| Molecular Formula | C19H28N2O5S2 |
|---|---|
| Molecular Weight | 428.14 g/mol |
| LogP | 3.4202 |
| Topological Polar Surface Area | 130.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 428.14395 |
| Heavy Atoms | 28 |
| Complexity | 891.04626 |
Chemical Identifiers
| CAS Number | 139340-56-0 |
|---|---|
| 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 |
Product Overview
Darbufelone mesylate (CAS 139340-56-0), with molecular formula C19H28N2O5S2 and molecular weight 428.14 g/mol. IUPAC: (5Z)-2-amino-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one;methanesulfonic acid.
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 130.05 Ų falls within the moderate polarity range, balancing permeability and solubility for Darbufelone mesylate. 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
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 428.14 g/mol.
Where can I buy Darbufelone mesylate?
You can request a quote for Darbufelone mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Darbufelone mesylate?
Yes, KEHONG BIO provides custom synthesis services for Darbufelone mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.