A1166/0054338
TL;DR: A1166/0054338 (CAS 311332-88-4) is a chemical compound with molecular formula C22H12F2N4OS and molecular weight 418.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-5-amino-7-(2-fluorophenyl)-2-[(2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
Also Known As: A1166/0054338, (2Z)-5-amino-2-(2-fluorobenzylidene)-7-(2-fluorophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile, (2Z)-5-AMINO-7-(2-FLUOROPHENYL)-2-[(2-FLUOROPHENYL)METHYLIDENE]-3-OXO-2H,3H,7H-[1,3]THIAZOLO[3,2-A]PYRIDINE-6,8-DICARBONITRILE, (2Z)-5-amino-7-(2-fluorophenyl)-2-[(2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile, (Z)-5-amino-2-(2-fluorobenzylidene)-7-(2-fluorophenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
| Molecular Formula | C22H12F2N4OS |
|---|---|
| Molecular Weight | 418.07 g/mol |
| LogP | 2.13936 |
| Topological Polar Surface Area | 95.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 418.06998 |
| Heavy Atoms | 30 |
| Complexity | 1484.7412 |
Chemical Identifiers
| CAS Number | 311332-88-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C\2/C(=O)N3C(=C(C(C(=C3S2)C#N)C4=CC=CC=C4F)C#N)N)F |
Product Overview
A1166/0054338 (CAS 311332-88-4), with molecular formula C22H12F2N4OS and molecular weight 418.07 g/mol. IUPAC: (2Z)-5-amino-7-(2-fluorophenyl)-2-[(2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile.
Chemical Property Profile of A1166/0054338
Property Insights of A1166/0054338
The XLogP value of 2.13936 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1166/0054338. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for A1166/0054338. Following Lipinski's Rule of Five, A1166/0054338 has 1 hydrogen bond donor(s) and 5 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 A1166/0054338?
The CAS number of A1166/0054338 is 311332-88-4.
What is the molecular formula of A1166/0054338?
The molecular formula of A1166/0054338 is C22H12F2N4OS.
What is the molecular weight of A1166/0054338?
The molecular weight of A1166/0054338 is 418.07 g/mol.
Where can I buy A1166/0054338?
You can request a quote for A1166/0054338 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1166/0054338?
Yes, KEHONG BIO provides custom synthesis services for A1166/0054338 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.