TL;DR: 11H-Pyrido(3,2-a)carbazole-11-ethanamine, 3-chloro-N,N-diethyl- (CAS 127040-50-0) is a chemical compound with molecular formula C21H22ClN3 and molecular weight 351.15024 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-chloropyrido[3,2-a]carbazol-11-yl)-N,N-diethylethanamine
Also Known As: 11H-Pyrido(3,2-a)carbazole-11-ethanamine, 3-chloro-N,N-diethyl-, 3-Chloro-11-(beta-diethylaminoethyl)pyrido(3,2-a)carbazole, 3-Chloro-N,N-diethyl-11H-pyrido(3,2-a)carbazole-11-ethanamine, 2-(3-chloropyrido[3,2-a]carbazol-11-yl)-N,N-diethylethanamine, 2-(3-Chloro-11H-pyrido[3,2-a]carbazol-11-yl)-N,N-diethylethan-1-amine
| Molecular Formula | C21H22ClN3 |
| Molecular Weight | 351.15024 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 21.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.15024 Da |
| Heavy Atoms | 25 |
| Complexity | 441.0 |
| SMILES | CCN(CC)CCN1C2=CC=CC=C2C3=C1C4=C(C=C3)N=C(C=C4)Cl |
| InChIKey | SPGOLUABNIFZRV-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that 11H-Pyrido(3,2-a)carbazole-11-ethanamine, 3-chloro-N,N-diethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.1 Ų, 11H-Pyrido(3,2-a)carbazole-11-ethanamine, 3-chloro-N,N-diethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11H-Pyrido(3,2-a)carbazole-11-ethanamine, 3-chloro-N,N-diethyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 11H-Pyrido(3,2-a)carbazole-11-ethanamine, 3-chloro-N,N-diethyl- is 127040-50-0.
The molecular formula of 11H-Pyrido(3,2-a)carbazole-11-ethanamine, 3-chloro-N,N-diethyl- is C21H22ClN3.
The molecular weight of 11H-Pyrido(3,2-a)carbazole-11-ethanamine, 3-chloro-N,N-diethyl- is 351.15024 g/mol.
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