TL;DR: [4-[2-(Diaminomethylidene)hydrazinyl]phenyl]iminourea (CAS 61566-10-7) is a chemical compound with molecular formula C8H11N7O and molecular weight 221.10251 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[2-(diaminomethylidene)hydrazinyl]phenyl]iminourea
Also Known As: Desulfo Oxo-ambazone, KST-1A7922, [4-[2-(diaminomethylidene)hydrazinyl]phenyl]iminourea, [4-(Amidinohydrazono)cyclohexa-2,5-dienal] semicarbazone, (e)-2-{4-[2-(diaminomethylidene)hydrazinyl]phenyl}diazenecarboxamide
| Molecular Formula | C8H11N7O |
| Molecular Weight | 221.10251 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.10251 Da |
| Heavy Atoms | 16 |
| Complexity | 289.0 |
| SMILES | C1=CC(=CC=C1NN=C(N)N)N=NC(=O)N |
| InChIKey | LMEKTJOFIUHOPU-UHFFFAOYSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-[2-(Diaminomethylidene)hydrazinyl]phenyl]iminourea. The TPSA of 144.0 Ų indicates high polarity, suggesting [4-[2-(Diaminomethylidene)hydrazinyl]phenyl]iminourea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [4-[2-(Diaminomethylidene)hydrazinyl]phenyl]iminourea has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [4-[2-(Diaminomethylidene)hydrazinyl]phenyl]iminourea is 61566-10-7.
The molecular formula of [4-[2-(Diaminomethylidene)hydrazinyl]phenyl]iminourea is C8H11N7O.
The molecular weight of [4-[2-(Diaminomethylidene)hydrazinyl]phenyl]iminourea is 221.10251 g/mol.
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