TL;DR: 9H,11H-Pyrazino(2,1-c)pyrrolo(1,2-a)(1,4)benzodiazepine, 12,13,14,14a-tetrahydro-13-(2-propenyl)- (CAS 144109-12-6) is a chemical compound with molecular formula C18H21N3 and molecular weight 279.17355 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-prop-2-enyl-2,9,12-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,14,16-pentaene
Also Known As: 9H,11H-Pyrazino(2,1-c)pyrrolo(1,2-a)(1,4)benzodiazepine, 12,13,14,14a-tetrahydro-13-(2-propenyl)-, 10,11,12,12a-Tetrahydro-11-(2-propenyl)-8H,9H-3a,8a,11-triazadibenz[e,h]azulene, 13-(Prop-2-en-1-yl)-12,13,14,14a-tetrahydro-9H,11H-pyrazino[2,1-c]pyrrolo[1,2-a][1,4]benzodiazepine, 9-(prop-2-en-1-yl)-2,9,12-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,14,16-pentaene
| Molecular Formula | C18H21N3 |
| Molecular Weight | 279.17355 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 11.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.17355 Da |
| Heavy Atoms | 21 |
| Complexity | 383.0 |
| SMILES | C=CCN1CCN2CC3=CC=CC=C3N4C=CC=C4C2C1 |
| InChIKey | AIDLHSHXZFANTP-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H,11H-Pyrazino(2,1-c)pyrrolo(1,2-a)(1,4)benzodiazepine, 12,13,14,14a-tetrahydro-13-(2-propenyl)-. With a topological polar surface area (TPSA) of 11.4 Ų, 9H,11H-Pyrazino(2,1-c)pyrrolo(1,2-a)(1,4)benzodiazepine, 12,13,14,14a-tetrahydro-13-(2-propenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H,11H-Pyrazino(2,1-c)pyrrolo(1,2-a)(1,4)benzodiazepine, 12,13,14,14a-tetrahydro-13-(2-propenyl)- has 0 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,11H-Pyrazino(2,1-c)pyrrolo(1,2-a)(1,4)benzodiazepine, 12,13,14,14a-tetrahydro-13-(2-propenyl)- is 144109-12-6.
The molecular formula of 9H,11H-Pyrazino(2,1-c)pyrrolo(1,2-a)(1,4)benzodiazepine, 12,13,14,14a-tetrahydro-13-(2-propenyl)- is C18H21N3.
The molecular weight of 9H,11H-Pyrazino(2,1-c)pyrrolo(1,2-a)(1,4)benzodiazepine, 12,13,14,14a-tetrahydro-13-(2-propenyl)- is 279.17355 g/mol.
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