TL;DR: Pyrrolo(2,3-g)-1,5-benzodiazepine, 3,10-dihydro-2,4,8,9-tetramethyl- (CAS 113597-51-6) is a chemical compound with molecular formula C15H17N3 and molecular weight 239.14224 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4,8,9-tetramethyl-3,10-dihydropyrrolo[3,2-i][1,5]benzodiazepine
Also Known As: 2,4,8,9-Tetramethyl-3H-(1,4)diazepino(2,3-g)indole, Pyrrolo(2,3-g)-1,5-benzodiazepine, 3,10-dihydro-2,4,8,9-tetramethyl-, 3,10-Dihydro-2,4,8,9-tetramethylpyrrolo(2,3-g)-1,5-benzodiazepine, 2,4,8,9-Tetramethyl-3,10-dihydro[1,4]diazepino[2,3-g]indole, BRN 5541924
| Molecular Formula | C15H17N3 |
| Molecular Weight | 239.14224 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.14224 Da |
| Heavy Atoms | 18 |
| Complexity | 399.0 |
| SMILES | CC1=NC2=C(C3=C(C=C2)C(=C(N3)C)C)N=C(C1)C |
| InChIKey | YVPZIRKBYINIOI-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolo(2,3-g)-1,5-benzodiazepine, 3,10-dihydro-2,4,8,9-tetramethyl-. With a topological polar surface area (TPSA) of 40.5 Ų, Pyrrolo(2,3-g)-1,5-benzodiazepine, 3,10-dihydro-2,4,8,9-tetramethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolo(2,3-g)-1,5-benzodiazepine, 3,10-dihydro-2,4,8,9-tetramethyl- 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 Pyrrolo(2,3-g)-1,5-benzodiazepine, 3,10-dihydro-2,4,8,9-tetramethyl- is 113597-51-6.
The molecular formula of Pyrrolo(2,3-g)-1,5-benzodiazepine, 3,10-dihydro-2,4,8,9-tetramethyl- is C15H17N3.
The molecular weight of Pyrrolo(2,3-g)-1,5-benzodiazepine, 3,10-dihydro-2,4,8,9-tetramethyl- is 239.14224 g/mol.
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