BAS 06976586
TL;DR: BAS 06976586 (CAS 1164486-20-7) is a chemical compound with molecular formula C14H14F3N3O2S and molecular weight 345.0759 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: BAS 06976586, F1457-0005, 2-[(2E)-3-METHYL-2-(METHYLIMINO)-4-OXO-1,3-THIAZOLIDIN-5-YL]-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE, 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide, 2-[3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Technical Specifications
| Molecular Formula | C14H14F3N3O2S |
| Molecular Weight | 345.0759 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 87.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.0759 Da |
| Heavy Atoms | 23 |
| Complexity | 510.0 |
| SMILES | CN=C1N(C(=O)C(S1)CC(=O)NC2=CC=CC(=C2)C(F)(F)F)C |
| InChIKey | RQNSMEBTBJWQAR-UHFFFAOYSA-N |
Chemical Property Profile of BAS 06976586
Property Insights of BAS 06976586
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06976586. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06976586. Following Lipinski's Rule of Five, BAS 06976586 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 06976586?
The CAS number of BAS 06976586 is 1164486-20-7.
What is the molecular formula of BAS 06976586?
The molecular formula of BAS 06976586 is C14H14F3N3O2S.
What is the molecular weight of BAS 06976586?
The molecular weight of BAS 06976586 is 345.0759 g/mol.
Where can I buy BAS 06976586?
You can request a quote for BAS 06976586 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 06976586?
Yes, CoreyChem provides custom synthesis services for BAS 06976586 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.