TL;DR: [(3,5-Dichloro-2-hydroxyphenyl)methylideneamino]urea (CAS 111317-15-8) is a chemical compound with molecular formula C8H7Cl2N3O2 and molecular weight 246.99153 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
Also Known As: Hydrazinecarboxamide, 2-[(3,5-dichloro-2-hydroxyphenyl)methylene]-, 3,5-dichloro-2-hydroxy-benzaldehyde-semicarbazone, [(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]urea
| Molecular Formula | C8H7Cl2N3O2 |
| Molecular Weight | 246.99153 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.99153 Da |
| Heavy Atoms | 15 |
| Complexity | 262.0 |
| SMILES | C1=C(C=C(C(=C1C=NNC(=O)N)O)Cl)Cl |
| InChIKey | SARAKVGXIOTMEN-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(3,5-Dichloro-2-hydroxyphenyl)methylideneamino]urea. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3,5-Dichloro-2-hydroxyphenyl)methylideneamino]urea. Following Lipinski's Rule of Five, [(3,5-Dichloro-2-hydroxyphenyl)methylideneamino]urea has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [(3,5-Dichloro-2-hydroxyphenyl)methylideneamino]urea is 111317-15-8.
The molecular formula of [(3,5-Dichloro-2-hydroxyphenyl)methylideneamino]urea is C8H7Cl2N3O2.
The molecular weight of [(3,5-Dichloro-2-hydroxyphenyl)methylideneamino]urea is 246.99153 g/mol.
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