TL;DR: 2-chloro-N-(2-chloroethyl)-N-[(5-nitrofuran-2-yl)methylideneamino]ethanamine (CAS 19819-37-5) is a chemical compound with molecular formula C9H11Cl2N3O3 and molecular weight 279.01776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-(2-chloroethyl)-N-[(5-nitrofuran-2-yl)methylideneamino]ethanamine
Also Known As: 5-Nitro-2-furaldehyde bis(2-chloroethyl)hydrazone, 5'-Nitro-2'-furfural-N,N-bis-(2-chloroethyl)hydrazone, 2-FURALDEHYDE, 5-NITRO-, BIS(2-CHLOROETHYL)HYDRAZONE
| Molecular Formula | C9H11Cl2N3O3 |
| Molecular Weight | 279.01776 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 279.01776 Da |
| Heavy Atoms | 17 |
| Complexity | 267.0 |
| SMILES | C1=C(OC(=C1)[N+](=O)[O-])C=NN(CCCl)CCCl |
| InChIKey | FJOCAFVYTYRMEW-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-(2-chloroethyl)-N-[(5-nitrofuran-2-yl)methylideneamino]ethanamine. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-(2-chloroethyl)-N-[(5-nitrofuran-2-yl)methylideneamino]ethanamine. Following Lipinski's Rule of Five, 2-chloro-N-(2-chloroethyl)-N-[(5-nitrofuran-2-yl)methylideneamino]ethanamine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-chloro-N-(2-chloroethyl)-N-[(5-nitrofuran-2-yl)methylideneamino]ethanamine is 19819-37-5.
The molecular formula of 2-chloro-N-(2-chloroethyl)-N-[(5-nitrofuran-2-yl)methylideneamino]ethanamine is C9H11Cl2N3O3.
The molecular weight of 2-chloro-N-(2-chloroethyl)-N-[(5-nitrofuran-2-yl)methylideneamino]ethanamine is 279.01776 g/mol.
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