BAS 01108245
TL;DR: BAS 01108245 (CAS 106576-69-6) is a chemical compound with molecular formula C22H20N2O5S3 and molecular weight 488.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl (2Z)-5-amino-3-oxo-7-thiophen-2-yl-2-(thiophen-2-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
Also Known As: BAS 01108245, (Z)-diethyl 5-amino-3-oxo-7-(thiophen-2-yl)-2-(thiophen-2-ylmethylene)-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6,8-dicarboxylate, 5-Amino-3-oxo-7-thiophen-2-yl-2-[1-thiophen-2-yl-meth-(E)-ylidene]-2,3-dihydro-7H-thiazolo[3,2-a]pyridine-6,8-dicarboxylic acid diethyl ester, diethyl (2Z)-5-amino-3-oxo-7-(thiophen-2-yl)-2-(thiophen-2-ylmethylidene)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate, diethyl (2Z)-5-amino-3-oxo-7-thiophen-2-yl-2-(thiophen-2-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
| Molecular Formula | C22H20N2O5S3 |
|---|---|
| Molecular Weight | 488.05 g/mol |
| LogP | 2.0632 |
| Topological Polar Surface Area | 100.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.05344 |
| Heavy Atoms | 32 |
| Complexity | 1361.6576 |
Chemical Identifiers
| CAS Number | 106576-69-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(N2C(=C(C1C3=CC=CS3)C(=O)OCC)S/C(=C\C4=CC=CS4)/C2=O)N |
Product Overview
BAS 01108245 (CAS 106576-69-6), with molecular formula C22H20N2O5S3 and molecular weight 488.05 g/mol. IUPAC: diethyl (2Z)-5-amino-3-oxo-7-thiophen-2-yl-2-(thiophen-2-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate.
Chemical Property Profile of BAS 01108245
Property Insights of BAS 01108245
The XLogP value of 2.0632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01108245. The TPSA of 100.62 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01108245. Following Lipinski's Rule of Five, BAS 01108245 has 1 hydrogen bond donor(s) and 9 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 BAS 01108245?
The CAS number of BAS 01108245 is 106576-69-6.
What is the molecular formula of BAS 01108245?
The molecular formula of BAS 01108245 is C22H20N2O5S3.
What is the molecular weight of BAS 01108245?
The molecular weight of BAS 01108245 is 488.05 g/mol.
Where can I buy BAS 01108245?
You can request a quote for BAS 01108245 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01108245?
Yes, KEHONG BIO provides custom synthesis services for BAS 01108245 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.