TL;DR: 1,4-butanediamine, N'-(8-methoxy-4,5-dimethyl-5h-pyrido(4,3-b)indol-1-yl)-n,n-dimethyl- (CAS 121714-40-7) is a chemical compound with molecular formula C20H28N4O and molecular weight 340.22632 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(8-methoxy-4,5-dimethylpyrido[4,3-b]indol-1-yl)-N',N'-dimethylbutane-1,4-diamine
Also Known As: 1,4-butanediamine, N'-(8-methoxy-4,5-dimethyl-5h-pyrido(4,3-b)indol-1-yl)-n,n-dimethyl-, N-(8-methoxy-4,5-dimethylpyrido[4,3-b]indol-1-yl)-N',N'-dimethylbutane-1,4-diamine, 4-[(8-Methoxy-4,5-dimethyl-2,5-dihydro-1H-pyrido[4,3-b]indol-1-ylidene)amino]-N,N-dimethylbutan-1-amine
| Molecular Formula | C20H28N4O |
| Molecular Weight | 340.22632 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 42.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 340.22632 Da |
| Heavy Atoms | 25 |
| Complexity | 419.0 |
| SMILES | CC1=CN=C(C2=C1N(C3=C2C=C(C=C3)OC)C)NCCCCN(C)C |
| InChIKey | SNYPKEDRYQKPJK-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 1,4-butanediamine, N'-(8-methoxy-4,5-dimethyl-5h-pyrido(4,3-b)indol-1-yl)-n,n-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.3 Ų, 1,4-butanediamine, N'-(8-methoxy-4,5-dimethyl-5h-pyrido(4,3-b)indol-1-yl)-n,n-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-butanediamine, N'-(8-methoxy-4,5-dimethyl-5h-pyrido(4,3-b)indol-1-yl)-n,n-dimethyl- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,4-butanediamine, N'-(8-methoxy-4,5-dimethyl-5h-pyrido(4,3-b)indol-1-yl)-n,n-dimethyl- is 121714-40-7.
The molecular formula of 1,4-butanediamine, N'-(8-methoxy-4,5-dimethyl-5h-pyrido(4,3-b)indol-1-yl)-n,n-dimethyl- is C20H28N4O.
The molecular weight of 1,4-butanediamine, N'-(8-methoxy-4,5-dimethyl-5h-pyrido(4,3-b)indol-1-yl)-n,n-dimethyl- is 340.22632 g/mol.
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