TL;DR: N-Benzyl-1-(4-isopropylphenyl)-9H-pyrido[3,4-B]indole-3-carboxamide (CAS 859859-29-3) is a chemical compound with molecular formula C28H25N3O and molecular weight 419.19977 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-benzyl-1-(4-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
Also Known As: N-benzyl-1-(4-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide, N-benzyl-1-[4-(propan-2-yl)phenyl]-9H-beta-carboline-3-carboxamide, N-BENZYL-1-(4-ISOPROPYLPHENYL)-9H-PYRIDO[3,4-B]INDOLE-3-CARBOXAMIDE
| Molecular Formula | C28H25N3O |
| Molecular Weight | 419.19977 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 57.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.19977 Da |
| Heavy Atoms | 32 |
| Complexity | 622.0 |
| SMILES | CC(C)C1=CC=C(C=C1)C2=C3C(=CC(=N2)C(=O)NCC4=CC=CC=C4)C5=CC=CC=C5N3 |
| InChIKey | NFTAWYCPPWIATO-UHFFFAOYSA-N |
The XLogP value of 6.2 indicates that N-Benzyl-1-(4-isopropylphenyl)-9H-pyrido[3,4-B]indole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.8 Ų, N-Benzyl-1-(4-isopropylphenyl)-9H-pyrido[3,4-B]indole-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Benzyl-1-(4-isopropylphenyl)-9H-pyrido[3,4-B]indole-3-carboxamide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-Benzyl-1-(4-isopropylphenyl)-9H-pyrido[3,4-B]indole-3-carboxamide is 859859-29-3.
The molecular formula of N-Benzyl-1-(4-isopropylphenyl)-9H-pyrido[3,4-B]indole-3-carboxamide is C28H25N3O.
The molecular weight of N-Benzyl-1-(4-isopropylphenyl)-9H-pyrido[3,4-B]indole-3-carboxamide is 419.19977 g/mol.
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