TL;DR: 9-Acridinamine, N-(2-((2-chloroethyl)thio)ethyl)-, hydrochloride (CAS 38914-98-6) is a chemical compound with molecular formula C17H18Cl2N2S and molecular weight 352.05676 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
acridin-9-yl-[2-(2-chloroethylsulfanyl)ethyl]azanium chloride
Also Known As: ICR 316, 9-((2-((2-Chloroethyl)thio)ethyl)amino)acridine hydrochloride, Acridine, 9-((2-((2-chloroethyl)thio)ethyl)amino)-, hydrochloride, 9-ACRIDINAMINE, N-(2-((2-CHLOROETHYL)THIO)ETHYL)-, HYDROCHLORIDE, acridin-9-yl-[2-(2-chloroethylsulfanyl)ethyl]azanium chloride
| Molecular Formula | C17H18Cl2N2S |
| Molecular Weight | 352.05676 g/mol |
| XLogP | 0.56 |
| Topological Polar Surface Area (TPSA) | 54.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 352.05676 Da |
| Heavy Atoms | 22 |
| Complexity | 293.0 |
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)[NH2+]CCSCCCl.[Cl-] |
| InChIKey | BLSKFJGPURAJCV-UHFFFAOYSA-N |
The XLogP value of 0.56 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Acridinamine, N-(2-((2-chloroethyl)thio)ethyl)-, hydrochloride. With a topological polar surface area (TPSA) of 54.8 Ų, 9-Acridinamine, N-(2-((2-chloroethyl)thio)ethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Acridinamine, N-(2-((2-chloroethyl)thio)ethyl)-, hydrochloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 9-Acridinamine, N-(2-((2-chloroethyl)thio)ethyl)-, hydrochloride is 38914-98-6.
The molecular formula of 9-Acridinamine, N-(2-((2-chloroethyl)thio)ethyl)-, hydrochloride is C17H18Cl2N2S.
The molecular weight of 9-Acridinamine, N-(2-((2-chloroethyl)thio)ethyl)-, hydrochloride is 352.05676 g/mol.
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