LLV6AYS2Y7
TL;DR: LLV6AYS2Y7 (CAS 31898-49-4) is a chemical compound with molecular formula C12H12N4O5S2 and molecular weight 356.0249 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(5-nitrofuran-2-yl)-1,3-thiazol-4-yl]methanimine
Also Known As: 4-Thiomorpholinamine, N-((2-(5-nitro-2-furanyl)-4-thiazolyl)methylene)-, 1,1-dioxide, N-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(5-nitrofuran-2-yl)-1,3-thiazol-4-yl]methanimine, N-((2-(5-Nitro-2-furanyl)-4-thiazolyl)methylene)-4-thiomorpholinamine 1,1-dioxide, Thiomorpholine, 4-[[[2-(5-nitro-2-furyl)-4-thiazolyl]methylene]amino]-, 1,1-dioxide, 4-({[2-(5-Nitrofuran-2-yl)-1,3-thiazol-4-yl]methylidene}amino)-1lambda~6~-thiomorpholine-1,1-dione
Technical Specifications
| Molecular Formula | C12H12N4O5S2 |
| Molecular Weight | 356.0249 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 158.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.0249 Da |
| Heavy Atoms | 23 |
| Complexity | 559.0 |
| SMILES | C1CS(=O)(=O)CCN1N=CC2=CSC(=N2)C3=CC=C(O3)[N+](=O)[O-] |
| InChIKey | ZSYSVYKAYJMBOF-UHFFFAOYSA-N |
Chemical Property Profile of LLV6AYS2Y7
Property Insights of LLV6AYS2Y7
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for LLV6AYS2Y7. The TPSA of 158.0 Ų indicates high polarity, suggesting LLV6AYS2Y7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, LLV6AYS2Y7 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of LLV6AYS2Y7?
The CAS number of LLV6AYS2Y7 is 31898-49-4.
What is the molecular formula of LLV6AYS2Y7?
The molecular formula of LLV6AYS2Y7 is C12H12N4O5S2.
What is the molecular weight of LLV6AYS2Y7?
The molecular weight of LLV6AYS2Y7 is 356.0249 g/mol.
Where can I buy LLV6AYS2Y7?
You can request a quote for LLV6AYS2Y7 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for LLV6AYS2Y7?
Yes, CoreyChem provides custom synthesis services for LLV6AYS2Y7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.