TL;DR: TIBO analog (CAS 136723-26-7) is a chemical compound with molecular formula C15H19ClN2 and molecular weight 262.1237 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-11-methyl-10-propyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene
Also Known As: TIBO analog, chloro-methyl-propyl-[?], (+-)-2-Chloro-3,4,5,6-tetrahydro-4-methyl-5-propyl-1H-azepino(5,4,3-cd)indole Monohydrochloride, 3H-Azepino(5,4,3-cd)indole, 2-chloro-2a,4,5,6-tetrahydro-4-methyl-5-propyl-, monohydrochloride, 2-Chloro-3,4,5,6-tetrahydro-4-methyl-5-propyl-1H-azepino[5,4,3-cd]indole
| Molecular Formula | C15H19ClN2 |
| Molecular Weight | 262.1237 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 19.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.1237 Da |
| Heavy Atoms | 18 |
| Complexity | 296.0 |
| SMILES | CCCN1CC2=C3C(=C(NC3=CC=C2)Cl)CC1C |
| InChIKey | UFFKBSBMSIUDNM-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that TIBO analog is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.0 Ų, TIBO analog exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TIBO analog has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of TIBO analog is 136723-26-7.
The molecular formula of TIBO analog is C15H19ClN2.
The molecular weight of TIBO analog is 262.1237 g/mol.
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