BAS 00664249
TL;DR: BAS 00664249 (CAS 1641543-80-7) is a chemical compound with molecular formula C13H10N2O5S2 and molecular weight 338.0031 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: BAS 00664249, 3-[(5Z)-5-(4-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid, F0385-0066, 3-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid, 3-{5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
Technical Specifications
| Molecular Formula | C13H10N2O5S2 |
| Molecular Weight | 338.0031 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 161.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.0031 Da |
| Heavy Atoms | 22 |
| Complexity | 535.0 |
| SMILES | C1=CC(=CC=C1/C=C\2/C(=O)N(C(=S)S2)CCC(=O)O)[N+](=O)[O-] |
| InChIKey | BGFDDSLQPRDLDE-YFHOEESVSA-N |
Chemical Property Profile of BAS 00664249
Property Insights of BAS 00664249
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00664249. The TPSA of 161.0 Ų indicates high polarity, suggesting BAS 00664249 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00664249 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
What is the CAS number of BAS 00664249?
The CAS number of BAS 00664249 is 1641543-80-7.
What is the molecular formula of BAS 00664249?
The molecular formula of BAS 00664249 is C13H10N2O5S2.
What is the molecular weight of BAS 00664249?
The molecular weight of BAS 00664249 is 338.0031 g/mol.
Where can I buy BAS 00664249?
You can request a quote for BAS 00664249 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00664249?
Yes, CoreyChem provides custom synthesis services for BAS 00664249 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.