FJ 776 (free base)
TL;DR: FJ 776 (free base) (CAS 142306-96-5) is a chemical compound with molecular formula C21H22N3OS2+ and molecular weight 396.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one
Also Known As: FJ 776 (free base), Pyridinium, 1-ethyl-2-[[3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene]methyl]-, Pyridinium,1-ethyl-2-[[3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene]methyl]-
| Molecular Formula | C21H22N3OS2+ |
|---|---|
| Molecular Weight | 396.12 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 78.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.12042 |
| Heavy Atoms | 27 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 142306-96-5 |
|---|---|
| SMILES | CCN1C(=CC2=CC=CC=[N+]2CC)SC(=C3N(C4=CC=CC=C4S3)C)C1=O |
| InChIKey | QLYHOWIZHHZGPV-UHFFFAOYSA-N |
Product Overview
FJ 776 (free base) (CAS 142306-96-5), with molecular formula C21H22N3OS2+ and molecular weight 396.12 g/mol. IUPAC: 3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one.
Chemical Property Profile of FJ 776 (free base)
Property Insights of FJ 776 (free base)
The XLogP value of 4.3 indicates that FJ 776 (free base) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.0 Ų falls within the moderate polarity range, balancing permeability and solubility for FJ 776 (free base). Following Lipinski's Rule of Five, FJ 776 (free base) has 0 hydrogen bond donor(s) and 4 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 FJ 776 (free base)?
The CAS number of FJ 776 (free base) is 142306-96-5.
What is the molecular formula of FJ 776 (free base)?
The molecular formula of FJ 776 (free base) is C21H22N3OS2+.
What is the molecular weight of FJ 776 (free base)?
The molecular weight of FJ 776 (free base) is 396.12 g/mol.
Where can I buy FJ 776 (free base)?
You can request a quote for FJ 776 (free base) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for FJ 776 (free base)?
Yes, KEHONG BIO provides custom synthesis services for FJ 776 (free base) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.