TL;DR: 4-Benzofuranamine, N,N-bis(2-chloroethyl)-7-methoxy-2-nitro- (CAS 109143-20-6) is a chemical compound with molecular formula C13H14Cl2N2O4 and molecular weight 332.03305 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-bis(2-chloroethyl)-7-methoxy-2-nitro-1-benzofuran-4-amine
Also Known As: 4-Benzofuranamine, N,N-bis(2-chloroethyl)-7-methoxy-2-nitro-, N,N-bis(2-chloroethyl)-7-methoxy-2-nitro-1-benzofuran-4-amine, 4-(Bis(2-chloroethyl)amino)-7-methoxy-2-nitrobenzofuran, N,N-Bis(2-chloroethyl)-7-methoxy-2-nitro-4-benzofuranamine, 2-Nitro-7-methoxy-4-[bis(2-chloroethyl)amino]benzofuran
| Molecular Formula | C13H14Cl2N2O4 |
| Molecular Weight | 332.03305 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 71.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.03305 Da |
| Heavy Atoms | 21 |
| Complexity | 350.0 |
| SMILES | COC1=C2C(=C(C=C1)N(CCCl)CCCl)C=C(O2)[N+](=O)[O-] |
| InChIKey | YVTVKGADNTVFRY-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 4-Benzofuranamine, N,N-bis(2-chloroethyl)-7-methoxy-2-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzofuranamine, N,N-bis(2-chloroethyl)-7-methoxy-2-nitro-. Following Lipinski's Rule of Five, 4-Benzofuranamine, N,N-bis(2-chloroethyl)-7-methoxy-2-nitro- 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 4-Benzofuranamine, N,N-bis(2-chloroethyl)-7-methoxy-2-nitro- is 109143-20-6.
The molecular formula of 4-Benzofuranamine, N,N-bis(2-chloroethyl)-7-methoxy-2-nitro- is C13H14Cl2N2O4.
The molecular weight of 4-Benzofuranamine, N,N-bis(2-chloroethyl)-7-methoxy-2-nitro- is 332.03305 g/mol.
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