A1681/0071742
TL;DR: A1681/0071742 (CAS 313381-54-3) is a chemical compound with molecular formula C24H17F2N3O3S and molecular weight 465.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-5-amino-6-cyano-7-(3-fluorophenyl)-2-[(3-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Also Known As: A1681/0071742, ethyl (2E)-5-amino-6-cyano-7-(3-fluorophenyl)-2-[(3-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate, ethyl 5-amino-6-cyano-2-(3-fluorobenzylidene)-7-(3-fluorophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate, (E)-ethyl 5-amino-6-cyano-2-(3-fluorobenzylidene)-7-(3-fluorophenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate, ETHYL (2E)-5-AMINO-6-CYANO-7-(3-FLUOROPHENYL)-2-[(3-FLUOROPHENYL)METHYLIDENE]-3-OXO-2H,3H,7H-[1,3]THIAZOLO[3,2-A]PYRIDINE-8-CARBOXYLATE
| Molecular Formula | C24H17F2N3O3S |
|---|---|
| Molecular Weight | 465.10 g/mol |
| LogP | 2.17888 |
| Topological Polar Surface Area | 98.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 465.09586 |
| Heavy Atoms | 33 |
| Complexity | 1529.2017 |
Chemical Identifiers
| CAS Number | 313381-54-3 |
|---|---|
| SMILES | CCOC(=O)C1=C2N(C(=C(C1C3=CC(=CC=C3)F)C#N)N)C(=O)/C(=C\C4=CC(=CC=C4)F)/S2 |
Product Overview
A1681/0071742 (CAS 313381-54-3), with molecular formula C24H17F2N3O3S and molecular weight 465.10 g/mol. IUPAC: ethyl (2E)-5-amino-6-cyano-7-(3-fluorophenyl)-2-[(3-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate.
Chemical Property Profile of A1681/0071742
Property Insights of A1681/0071742
The XLogP value of 2.17888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1681/0071742. The TPSA of 98.11 Ų falls within the moderate polarity range, balancing permeability and solubility for A1681/0071742. Following Lipinski's Rule of Five, A1681/0071742 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
Frequently Asked Questions
What is the CAS number of A1681/0071742?
The CAS number of A1681/0071742 is 313381-54-3.
What is the molecular formula of A1681/0071742?
The molecular formula of A1681/0071742 is C24H17F2N3O3S.
What is the molecular weight of A1681/0071742?
The molecular weight of A1681/0071742 is 465.10 g/mol.
Where can I buy A1681/0071742?
You can request a quote for A1681/0071742 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1681/0071742?
Yes, KEHONG BIO provides custom synthesis services for A1681/0071742 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.