ChemDiv1_020946
TL;DR: ChemDiv1_020946 (CAS 330158-81-1) is a chemical compound with molecular formula C26H22F2N2O5S and molecular weight 512.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl (2Z)-5-amino-7-(4-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
Also Known As: ChemDiv1_020946, diethyl (2Z)-5-amino-2-(4-fluorobenzylidene)-7-(4-fluorophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate, (Z)-diethyl 5-amino-2-(4-fluorobenzylidene)-7-(4-fluorophenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6,8-dicarboxylate, 6,8-DIETHYL (2Z)-5-AMINO-7-(4-FLUOROPHENYL)-2-[(4-FLUOROPHENYL)METHYLIDENE]-3-OXO-2H,3H,7H-[1,3]THIAZOLO[3,2-A]PYRIDINE-6,8-DICARBOXYLATE, diethyl (2Z)-5-amino-7-(4-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
| Molecular Formula | C26H22F2N2O5S |
|---|---|
| Molecular Weight | 512.12 g/mol |
| LogP | 2.2184 |
| Topological Polar Surface Area | 100.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 512.12177 |
| Heavy Atoms | 36 |
| Complexity | 1536.8252 |
Chemical Identifiers
| CAS Number | 330158-81-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N2C(=C(C1C3=CC=C(C=C3)F)C(=O)OCC)S/C(=C\C4=CC=C(C=C4)F)/C2=O)N |
Product Overview
ChemDiv1_020946 (CAS 330158-81-1), with molecular formula C26H22F2N2O5S and molecular weight 512.12 g/mol. IUPAC: diethyl (2Z)-5-amino-7-(4-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate.
Chemical Property Profile of ChemDiv1_020946
Property Insights of ChemDiv1_020946
The XLogP value of 2.2184 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_020946. The TPSA of 100.62 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_020946. Following Lipinski's Rule of Five, ChemDiv1_020946 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_020946?
The CAS number of ChemDiv1_020946 is 330158-81-1.
What is the molecular formula of ChemDiv1_020946?
The molecular formula of ChemDiv1_020946 is C26H22F2N2O5S.
What is the molecular weight of ChemDiv1_020946?
The molecular weight of ChemDiv1_020946 is 512.12 g/mol.
Where can I buy ChemDiv1_020946?
You can request a quote for ChemDiv1_020946 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020946?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020946 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.