TL;DR: Nicotinic acid, [p-[bis(2-chloroethyl)amino]benzylidene]hydrazide (CAS 16230-80-1) is a chemical compound with molecular formula C17H18Cl2N4O and molecular weight 364.08575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]pyridine-3-carboxamide
Also Known As: Nicotinic acid, [p-[bis(2-chloroethyl)amino]benzylidene]hydrazide, N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]pyridine-3-carboxamide
| Molecular Formula | C17H18Cl2N4O |
| Molecular Weight | 364.08575 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 364.08575 Da |
| Heavy Atoms | 24 |
| Complexity | 394.0 |
| SMILES | C1=CC(=CN=C1)C(=O)N/N=C\C2=CC=C(C=C2)N(CCCl)CCCl |
| InChIKey | COVXLRKMGDYPCL-MTJSOVHGSA-N |
The XLogP value of 3.1 indicates that Nicotinic acid, [p-[bis(2-chloroethyl)amino]benzylidene]hydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.6 Ų, Nicotinic acid, [p-[bis(2-chloroethyl)amino]benzylidene]hydrazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicotinic acid, [p-[bis(2-chloroethyl)amino]benzylidene]hydrazide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Nicotinic acid, [p-[bis(2-chloroethyl)amino]benzylidene]hydrazide is 16230-80-1.
The molecular formula of Nicotinic acid, [p-[bis(2-chloroethyl)amino]benzylidene]hydrazide is C17H18Cl2N4O.
The molecular weight of Nicotinic acid, [p-[bis(2-chloroethyl)amino]benzylidene]hydrazide is 364.08575 g/mol.
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