TL;DR: 9H-Pyrido[3,4-b]indole, 1-(2-thienyl)- (CAS 148639-26-3) is a chemical compound with molecular formula C15H10N2S and molecular weight 250.05647 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-thiophen-2-yl-9H-pyrido[3,4-b]indole
Also Known As: 1-(2-Thienyl)-beta-carboline, 9H-Pyrido[3,4-b]indole, 1-(2-thienyl)-, 1-(thiophen-2-yl)-9H-, A-carboline, NCI60_023446
| Molecular Formula | C15H10N2S |
| Molecular Weight | 250.05647 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 56.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.05647 Da |
| Heavy Atoms | 18 |
| Complexity | 309.0 |
| SMILES | C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C4=CC=CS4 |
| InChIKey | VINZHXJVOFAMRY-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 9H-Pyrido[3,4-b]indole, 1-(2-thienyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.9 Ų, 9H-Pyrido[3,4-b]indole, 1-(2-thienyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-Pyrido[3,4-b]indole, 1-(2-thienyl)- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 9H-Pyrido[3,4-b]indole, 1-(2-thienyl)- is 148639-26-3.
The molecular formula of 9H-Pyrido[3,4-b]indole, 1-(2-thienyl)- is C15H10N2S.
The molecular weight of 9H-Pyrido[3,4-b]indole, 1-(2-thienyl)- is 250.05647 g/mol.
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