TL;DR: N-(5-(4-(Bis(2-chloroethyl)amino)phenyl)pentyl)-9-acridinamine (CAS 130031-44-6) is a chemical compound with molecular formula C28H31Cl2N3 and molecular weight 479.1895 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[5-[4-[bis(2-chloroethyl)amino]phenyl]pentyl]acridin-9-amine
Also Known As: N-(5-(4-(Bis(2-chloroethyl)amino)phenyl)pentyl)-9-acridinamine, 9-[5-[4-[Bis(2-chloroethyl)amino]phenyl]pentylamino]acridine, N-(5-{4-[BIS(2-CHLOROETHYL)AMINO]PHENYL}PENTYL)ACRIDIN-9-AMINE, N-[5-[4-[bis(2-chloroethyl)amino]phenyl]pentyl]acridin-9-amine
| Molecular Formula | C28H31Cl2N3 |
| Molecular Weight | 479.1895 g/mol |
| XLogP | 8.0 |
| Topological Polar Surface Area (TPSA) | 28.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 479.1895 Da |
| Heavy Atoms | 33 |
| Complexity | 511.0 |
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCCC4=CC=C(C=C4)N(CCCl)CCCl |
| InChIKey | IMFGGYMFQQRZID-UHFFFAOYSA-N |
The XLogP value of 8.0 indicates that N-(5-(4-(Bis(2-chloroethyl)amino)phenyl)pentyl)-9-acridinamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, N-(5-(4-(Bis(2-chloroethyl)amino)phenyl)pentyl)-9-acridinamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-(4-(Bis(2-chloroethyl)amino)phenyl)pentyl)-9-acridinamine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-(5-(4-(Bis(2-chloroethyl)amino)phenyl)pentyl)-9-acridinamine is 130031-44-6.
The molecular formula of N-(5-(4-(Bis(2-chloroethyl)amino)phenyl)pentyl)-9-acridinamine is C28H31Cl2N3.
The molecular weight of N-(5-(4-(Bis(2-chloroethyl)amino)phenyl)pentyl)-9-acridinamine is 479.1895 g/mol.
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