A0909/0042652
TL;DR: A0909/0042652 (CAS 313381-50-9) 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-(3-fluorophenyl)-2-[(3-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
Also Known As: A0909/0042652, (2Z)-5-amino-2-(3-fluorobenzylidene)-7-(3-fluorophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile, (2Z)-5-AMINO-7-(3-FLUOROPHENYL)-2-[(3-FLUOROPHENYL)METHYLIDENE]-3-OXO-2H,3H,7H-[1,3]THIAZOLO[3,2-A]PYRIDINE-6,8-DICARBONITRILE, (2Z)-5-amino-7-(3-fluorophenyl)-2-[(3-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile, (Z)-5-amino-2-(3-fluorobenzylidene)-7-(3-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 | 313381-50-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)/C=C\2/C(=O)N3C(=C(C(C(=C3S2)C#N)C4=CC(=CC=C4)F)C#N)N |
Product Overview
A0909/0042652 (CAS 313381-50-9), with molecular formula C22H12F2N4OS and molecular weight 418.07 g/mol. IUPAC: (2Z)-5-amino-7-(3-fluorophenyl)-2-[(3-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile.
Chemical Property Profile of A0909/0042652
Property Insights of A0909/0042652
The XLogP value of 2.13936 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A0909/0042652. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for A0909/0042652. Following Lipinski's Rule of Five, A0909/0042652 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 A0909/0042652?
The CAS number of A0909/0042652 is 313381-50-9.
What is the molecular formula of A0909/0042652?
The molecular formula of A0909/0042652 is C22H12F2N4OS.
What is the molecular weight of A0909/0042652?
The molecular weight of A0909/0042652 is 418.07 g/mol.
Where can I buy A0909/0042652?
You can request a quote for A0909/0042652 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0909/0042652?
Yes, KEHONG BIO provides custom synthesis services for A0909/0042652 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.