TL;DR: 1-Naphthalenol, 4-((p-(bis(2-chloroethyl)amino)phenyl)amino)- (CAS 63978-92-7) is a chemical compound with molecular formula C20H20Cl2N2O and molecular weight 374.09528 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-[bis(2-chloroethyl)amino]anilino]naphthalen-1-ol
Also Known As: 1,3,5-Trithiane,phenol deriv., 4-(p-Bis(2-chloroethyl)aminophenyl)amino-1-naphthalenol, 4-[4-[bis(2-chloroethyl)amino]anilino]naphthalen-1-ol, 1-NAPHTHALENOL, 4-((p-(BIS(2-CHLOROETHYL)AMINO)PHENYL)AMINO)-, 1-Naphthylamine, N-(4'-(bis(2-chloroethyl)amino)phenyl)-4-hydroxy-
| Molecular Formula | C20H20Cl2N2O |
| Molecular Weight | 374.09528 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.09528 Da |
| Heavy Atoms | 25 |
| Complexity | 384.0 |
| SMILES | C1=CC=C2C(=C1)C(=CC=C2O)NC3=CC=C(C=C3)N(CCCl)CCCl |
| InChIKey | WYGOEDQHIGXZJA-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that 1-Naphthalenol, 4-((p-(bis(2-chloroethyl)amino)phenyl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 1-Naphthalenol, 4-((p-(bis(2-chloroethyl)amino)phenyl)amino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthalenol, 4-((p-(bis(2-chloroethyl)amino)phenyl)amino)- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-Naphthalenol, 4-((p-(bis(2-chloroethyl)amino)phenyl)amino)- is 63978-92-7.
The molecular formula of 1-Naphthalenol, 4-((p-(bis(2-chloroethyl)amino)phenyl)amino)- is C20H20Cl2N2O.
The molecular weight of 1-Naphthalenol, 4-((p-(bis(2-chloroethyl)amino)phenyl)amino)- is 374.09528 g/mol.
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