TL;DR: N'-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)-N,N-diethylethane-1,2-diamine (CAS 797764-21-7) is a chemical compound with molecular formula C16H20ClN5 and molecular weight 317.14072 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine
Also Known As: N'-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)-N,N-diethylethane-1,2-diamine, N-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine, N1-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)-N2,N2-diethylethane-1,2-diamine
| Molecular Formula | C16H20ClN5 |
| Molecular Weight | 317.14072 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 56.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.14072 Da |
| Heavy Atoms | 22 |
| Complexity | 351.0 |
| SMILES | CCN(CC)CCNC1=NC=NC2=C1NC3=C2C=C(C=C3)Cl |
| InChIKey | YZZGEZJZTYYZGG-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that N'-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)-N,N-diethylethane-1,2-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.8 Ų, N'-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)-N,N-diethylethane-1,2-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)-N,N-diethylethane-1,2-diamine 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 N'-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)-N,N-diethylethane-1,2-diamine is 797764-21-7.
The molecular formula of N'-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)-N,N-diethylethane-1,2-diamine is C16H20ClN5.
The molecular weight of N'-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)-N,N-diethylethane-1,2-diamine is 317.14072 g/mol.
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