AF-399/11786121
TL;DR: AF-399/11786121 (CAS 1164453-13-7) is a chemical compound with molecular formula C21H20N4OS2 and molecular weight 408.10785 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(benzimidazol-2-ylidenemethyl)-3-[4-(diethylamino)phenyl]-4-hydroxy-1,3-thiazole-2-thione
Also Known As: AF-399/11786121, (5E)-5-(1H-benzimidazol-2-ylmethylene)-3-[4-(diethylamino)phenyl]-2-thioxo-1,3-thiazolidin-4-one, (5E)-5-[(1H-1,3-BENZODIAZOL-2-YL)METHYLIDENE]-3-[4-(DIETHYLAMINO)PHENYL]-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, 5-(benzimidazol-2-ylmethylene)-3-[4-(diethylamino)phenyl]-2-thioxo-1,3-thiazol idin-4-one, (5E)-5-(1H-benzimidazol-2-ylmethylidene)-3-[4-(diethylamino)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Technical Specifications
| Molecular Formula | C21H20N4OS2 |
| Molecular Weight | 408.10785 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.10785 Da |
| Heavy Atoms | 28 |
| Complexity | 810.0 |
| SMILES | CCN(CC)C1=CC=C(C=C1)N2C(=C(SC2=S)C=C3N=C4C=CC=CC4=N3)O |
| InChIKey | HZNRDBFXBIIVHW-UHFFFAOYSA-N |
Chemical Property Profile of AF-399/11786121
Property Insights of AF-399/11786121
The XLogP value of 3.7 indicates that AF-399/11786121 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/11786121. Following Lipinski's Rule of Five, AF-399/11786121 has 1 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 AF-399/11786121?
The CAS number of AF-399/11786121 is 1164453-13-7.
What is the molecular formula of AF-399/11786121?
The molecular formula of AF-399/11786121 is C21H20N4OS2.
What is the molecular weight of AF-399/11786121?
The molecular weight of AF-399/11786121 is 408.10785 g/mol.
Where can I buy AF-399/11786121?
You can request a quote for AF-399/11786121 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AF-399/11786121?
Yes, CoreyChem provides custom synthesis services for AF-399/11786121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.