TL;DR: RefChem:1075540 (CAS 143212-85-5) is a chemical compound with molecular formula C14H12N8O3S and molecular weight 372.07532 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
Also Known As: Acetic acid, ((7-amino-(1,2,4)triazolo(1,5-c)pyrimidin-5-yl)thio)-, ((4-nitrophenyl)methylene)hydrazide, 2-({7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl}sulfanyl)-N'-[(4-nitrophenyl)methylidene]acetohydrazide, 2-[(7-Amino[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)thio]-N -(4-nitrobenzylidene)acetohydrazide, BRN 5835494
| Molecular Formula | C14H12N8O3S |
| Molecular Weight | 372.07532 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 182.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.07532 Da |
| Heavy Atoms | 26 |
| Complexity | 537.0 |
| SMILES | C1=CC(=CC=C1/C=N/NC(=O)CSC2=NC(=CC3=NC=NN32)N)[N+](=O)[O-] |
| InChIKey | ADJPYAVOLYXELE-UBKPWBPPSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1075540. The TPSA of 182.0 Ų indicates high polarity, suggesting RefChem:1075540 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1075540 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:1075540 is 143212-85-5.
The molecular formula of RefChem:1075540 is C14H12N8O3S.
The molecular weight of RefChem:1075540 is 372.07532 g/mol.
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