TL;DR: RefChem:315265 (CAS 109225-34-5) is a chemical compound with molecular formula C19H21ClN8O3S2 and molecular weight 508.08667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-[(E)-[amino-[[(E)-N'-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]carbamimidoyl]amino]methylidene]amino]sulfonylphenyl]acetamide;hydrochloride
Also Known As: Acetamide, N-(4-(((imino((imino((5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl)amino)methyl)amino)methyl)amino)sulfonyl)phenyl)-, monohydrochloride, N-(4-{[(E)-Amino({N'-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]carbamimidoyl}amino)methylidene]sulfamoyl}phenyl)acetamide--hydrogen chloride (1/1)
| Molecular Formula | C19H21ClN8O3S2 |
| Molecular Weight | 508.08667 g/mol |
| XLogP | 2.13312 |
| Topological Polar Surface Area (TPSA) | 214.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 508.08667 Da |
| Heavy Atoms | 33 |
| Complexity | 813.0 |
| SMILES | CC1=CC=C(C=C1)C2=NN=C(S2)/N=C(\N)/N/C(=N/S(=O)(=O)C3=CC=C(C=C3)NC(=O)C)/N.Cl |
| InChIKey | DXMZHGXVBTYLEC-UHFFFAOYSA-N |
The XLogP value of 2.13312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:315265. The TPSA of 214.0 Ų indicates high polarity, suggesting RefChem:315265 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:315265 has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:315265 is 109225-34-5.
The molecular formula of RefChem:315265 is C19H21ClN8O3S2.
The molecular weight of RefChem:315265 is 508.08667 g/mol.
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