TL;DR: N-[[4-[bis(2-chloroethyl)amino]-2-methyl-benzylidene]amino]-2-(7-hydroxy-2-keto-chromen-4-yl)acetamide (CAS 14415-43-1) is a chemical compound with molecular formula C23H23Cl2N3O4 and molecular weight 475.10657 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-2-(7-hydroxy-2-oxochromen-4-yl)acetamide
Also Known As: N-[[4-[bis(2-chloroethyl)amino]-2-methyl-benzylidene]amino]-2-(7-hydroxy-2-keto-chromen-4-yl)acetamide, N'-[(E)-{4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene]-2-(7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)acetohydrazide, N-[(E)-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-2-(7-hydroxy-2-oxochromen-4-yl)acetamide, N-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methylideneamino]-2-(7-oxidanyl-2-oxidanylidene-chromen-4-yl)ethanamide, N-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-2-(7-hydroxy-2-oxo-1-benzopyran-4-yl)acetamide
| Molecular Formula | C23H23Cl2N3O4 |
| Molecular Weight | 475.10657 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 91.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 475.10657 Da |
| Heavy Atoms | 32 |
| Complexity | 711.0 |
| SMILES | CC1=C(C=CC(=C1)N(CCCl)CCCl)/C=N/NC(=O)CC2=CC(=O)OC3=C2C=CC(=C3)O |
| InChIKey | WCRKUBGTWMEDDH-VULFUBBASA-N |
The XLogP value of 3.6 indicates that N-[[4-[bis(2-chloroethyl)amino]-2-methyl-benzylidene]amino]-2-(7-hydroxy-2-keto-chromen-4-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[4-[bis(2-chloroethyl)amino]-2-methyl-benzylidene]amino]-2-(7-hydroxy-2-keto-chromen-4-yl)acetamide. Following Lipinski's Rule of Five, N-[[4-[bis(2-chloroethyl)amino]-2-methyl-benzylidene]amino]-2-(7-hydroxy-2-keto-chromen-4-yl)acetamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[[4-[bis(2-chloroethyl)amino]-2-methyl-benzylidene]amino]-2-(7-hydroxy-2-keto-chromen-4-yl)acetamide is 14415-43-1.
The molecular formula of N-[[4-[bis(2-chloroethyl)amino]-2-methyl-benzylidene]amino]-2-(7-hydroxy-2-keto-chromen-4-yl)acetamide is C23H23Cl2N3O4.
The molecular weight of N-[[4-[bis(2-chloroethyl)amino]-2-methyl-benzylidene]amino]-2-(7-hydroxy-2-keto-chromen-4-yl)acetamide is 475.10657 g/mol.
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