A1681/0071750
TL;DR: A1681/0071750 (CAS 330158-87-7) is a chemical compound with molecular formula C25H20F2N2O5S and molecular weight 498.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-O-ethyl 6-O-methyl (2Z)-5-amino-7-(2-fluorophenyl)-2-[(2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
Also Known As: A1681/0071750, (Z)-8-ethyl 6-methyl 5-amino-2-(2-fluorobenzylidene)-7-(2-fluorophenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6,8-dicarboxylate, 8-ethyl 6-methyl (2Z)-5-amino-2-(2-fluorobenzylidene)-7-(2-fluorophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate, 8-ETHYL 6-METHYL (2Z)-5-AMINO-7-(2-FLUOROPHENYL)-2-[(2-FLUOROPHENYL)METHYLIDENE]-3-OXO-2H,3H,7H-[1,3]THIAZOLO[3,2-A]PYRIDINE-6,8-DICARBOXYLATE, 8-O-ethyl 6-O-methyl (2Z)-5-amino-7-(2-fluorophenyl)-2-[(2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
| Molecular Formula | C25H20F2N2O5S |
|---|---|
| Molecular Weight | 498.11 g/mol |
| LogP | 1.8283 |
| Topological Polar Surface Area | 100.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.1061 |
| Heavy Atoms | 35 |
| Complexity | 1554.2186 |
Chemical Identifiers
| CAS Number | 330158-87-7 |
|---|---|
| SMILES | CCOC(=O)C1=C2N(C(=C(C1C3=CC=CC=C3F)C(=O)OC)N)C(=O)/C(=C/C4=CC=CC=C4F)/S2 |
Product Overview
A1681/0071750 (CAS 330158-87-7), with molecular formula C25H20F2N2O5S and molecular weight 498.11 g/mol. IUPAC: 8-O-ethyl 6-O-methyl (2Z)-5-amino-7-(2-fluorophenyl)-2-[(2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate.
Chemical Property Profile of A1681/0071750
Property Insights of A1681/0071750
The XLogP value of 1.8283 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1681/0071750. The TPSA of 100.62 Ų falls within the moderate polarity range, balancing permeability and solubility for A1681/0071750. Following Lipinski's Rule of Five, A1681/0071750 has 1 hydrogen bond donor(s) and 7 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 A1681/0071750?
The CAS number of A1681/0071750 is 330158-87-7.
What is the molecular formula of A1681/0071750?
The molecular formula of A1681/0071750 is C25H20F2N2O5S.
What is the molecular weight of A1681/0071750?
The molecular weight of A1681/0071750 is 498.11 g/mol.
Where can I buy A1681/0071750?
You can request a quote for A1681/0071750 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1681/0071750?
Yes, KEHONG BIO provides custom synthesis services for A1681/0071750 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.