TL;DR: 1,4-Butanediamine, N,N-diethyl-N-(4-methyl-5H-pyrrolo(3,2-c.4,5-c)dipyridin-1-yl)- (CAS 110187-21-8) is a chemical compound with molecular formula C19H27N5 and molecular weight 325.22665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N',N'-diethyl-N-(6-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)butane-1,4-diamine
Also Known As: 1,4-Butanediamine, N,N-diethyl-N-(4-methyl-5H-pyrrolo(3,2-c.4,5-c)dipyridin-1-yl)-, n,n-diethyl-n'-(4-methyl-5h-pyrrolo[3,2-c:4,5-c']dipyridin-1-yl)butane-1,4-diamine, N,N-Diethyl-4-[(4-methyl-2,5-dihydro-1H-pyrrolo[3,2-c:4,5-c']dipyridin-1-ylidene)amino]butan-1-amine
| Molecular Formula | C19H27N5 |
| Molecular Weight | 325.22665 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 56.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 325.22665 Da |
| Heavy Atoms | 24 |
| Complexity | 373.0 |
| SMILES | CCN(CC)CCCCNC1=NC=C(C2=C1C3=C(N2)C=CN=C3)C |
| InChIKey | UNAHWMJWTBYULY-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 1,4-Butanediamine, N,N-diethyl-N-(4-methyl-5H-pyrrolo(3,2-c.4,5-c)dipyridin-1-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.8 Ų, 1,4-Butanediamine, N,N-diethyl-N-(4-methyl-5H-pyrrolo(3,2-c.4,5-c)dipyridin-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Butanediamine, N,N-diethyl-N-(4-methyl-5H-pyrrolo(3,2-c.4,5-c)dipyridin-1-yl)- has 2 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,N-diethyl-N-(4-methyl-5H-pyrrolo(3,2-c.4,5-c)dipyridin-1-yl)- is 110187-21-8.
The molecular formula of 1,4-Butanediamine, N,N-diethyl-N-(4-methyl-5H-pyrrolo(3,2-c.4,5-c)dipyridin-1-yl)- is C19H27N5.
The molecular weight of 1,4-Butanediamine, N,N-diethyl-N-(4-methyl-5H-pyrrolo(3,2-c.4,5-c)dipyridin-1-yl)- is 325.22665 g/mol.
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