BAS 04039780
TL;DR: BAS 04039780 (CAS 557068-25-4) is a chemical compound with molecular formula C13H14N6O2S2 and molecular weight 350.06198 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Also Known As: BAS 04039780, ASN 04039780, 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide, 2-{[4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide, 2-(4-Ethyl-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(5-methyl-[1,3,4]thiadiazol-2-yl)-acetamide
Technical Specifications
| Molecular Formula | C13H14N6O2S2 |
| Molecular Weight | 350.06198 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 152.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.06198 Da |
| Heavy Atoms | 23 |
| Complexity | 418.0 |
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=NN=C(S2)C)C3=CC=CO3 |
| InChIKey | UKGVAJILYKCHGM-UHFFFAOYSA-N |
Chemical Property Profile of BAS 04039780
Property Insights of BAS 04039780
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04039780. The TPSA of 152.0 Ų indicates high polarity, suggesting BAS 04039780 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 04039780 has 1 hydrogen bond donor(s) and 8 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 04039780?
The CAS number of BAS 04039780 is 557068-25-4.
What is the molecular formula of BAS 04039780?
The molecular formula of BAS 04039780 is C13H14N6O2S2.
What is the molecular weight of BAS 04039780?
The molecular weight of BAS 04039780 is 350.06198 g/mol.
Where can I buy BAS 04039780?
You can request a quote for BAS 04039780 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 04039780?
Yes, CoreyChem provides custom synthesis services for BAS 04039780 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.