TL;DR: 9-Acridinamine, N-(5-((4-(bis(2-chloroethyl)amino)phenyl)thio)pentyl)- (CAS 125173-76-4) is a chemical compound with molecular formula C28H31Cl2N3S and molecular weight 511.16156 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]sulfanylpentyl]acridin-9-amine
Also Known As: 9-Acridinamine, N-(5-((4-(bis(2-chloroethyl)amino)phenyl)thio)pentyl)-, N-[5-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylpentyl]acridin-9-amine, N-(5-((4-(Bis(2-chloroethyl)amino)phenyl)thio)pentyl)-9-acridinamine, N-(9-Acridinyl)-5-(4-(N,N-bis(2-chloroethyl))aminophenyl)thiopentanamine, N-[5-({4-[bis(2-chloroethyl)amino]phenyl}sulfanyl)pentyl]acridin-9-amine
| Molecular Formula | C28H31Cl2N3S |
| Molecular Weight | 511.16156 g/mol |
| XLogP | 8.1 |
| Topological Polar Surface Area (TPSA) | 53.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 511.16156 Da |
| Heavy Atoms | 34 |
| Complexity | 532.0 |
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCCSC4=CC=C(C=C4)N(CCCl)CCCl |
| InChIKey | HQAUYCHQXXIBSF-UHFFFAOYSA-N |
The XLogP value of 8.1 indicates that 9-Acridinamine, N-(5-((4-(bis(2-chloroethyl)amino)phenyl)thio)pentyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.5 Ų, 9-Acridinamine, N-(5-((4-(bis(2-chloroethyl)amino)phenyl)thio)pentyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Acridinamine, N-(5-((4-(bis(2-chloroethyl)amino)phenyl)thio)pentyl)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 9-Acridinamine, N-(5-((4-(bis(2-chloroethyl)amino)phenyl)thio)pentyl)- is 125173-76-4.
The molecular formula of 9-Acridinamine, N-(5-((4-(bis(2-chloroethyl)amino)phenyl)thio)pentyl)- is C28H31Cl2N3S.
The molecular weight of 9-Acridinamine, N-(5-((4-(bis(2-chloroethyl)amino)phenyl)thio)pentyl)- is 511.16156 g/mol.
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