TL;DR: 2-[1-Carbamoyl-2-(5-nitrofurfurylidene)hydrazino]acetic acid ethyl ester (CAS 10598-87-5) is a chemical compound with molecular formula C10H12N4O6 and molecular weight 284.07568 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[carbamoyl-[(5-nitrofuran-2-yl)methylideneamino]amino]acetate
Also Known As: 3-(5-nitro-furfurylidenamino)-hydantoic acid ethyl ester, 2-[1-Carbamoyl-2-(5-nitrofurfurylidene)hydrazino]acetic acid ethyl ester, Ethyl 2-(1-carbamoyl-2-((5-nitrofuran-2-yl)methylene)hydrazinyl)acetate, ethyl 2-[carbamoyl-[(5-nitro-2-furyl)methyleneamino]amino]acetate, Acetic acid, (1-carbamoyl-2-(5-nitrofurfurylidene)hydrazino)-, ethyl ester
| Molecular Formula | C10H12N4O6 |
| Molecular Weight | 284.07568 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.07568 Da |
| Heavy Atoms | 20 |
| Complexity | 407.0 |
| SMILES | CCOC(=O)CN(C(=O)N)N=CC1=CC=C(O1)[N+](=O)[O-] |
| InChIKey | ONHUPCAVZVIYFY-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[1-Carbamoyl-2-(5-nitrofurfurylidene)hydrazino]acetic acid ethyl ester. The TPSA of 144.0 Ų indicates high polarity, suggesting 2-[1-Carbamoyl-2-(5-nitrofurfurylidene)hydrazino]acetic acid ethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[1-Carbamoyl-2-(5-nitrofurfurylidene)hydrazino]acetic acid ethyl ester has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[1-Carbamoyl-2-(5-nitrofurfurylidene)hydrazino]acetic acid ethyl ester is 10598-87-5.
The molecular formula of 2-[1-Carbamoyl-2-(5-nitrofurfurylidene)hydrazino]acetic acid ethyl ester is C10H12N4O6.
The molecular weight of 2-[1-Carbamoyl-2-(5-nitrofurfurylidene)hydrazino]acetic acid ethyl ester is 284.07568 g/mol.
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