TL;DR: 12-Oxa-6-azatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2(7),3,5,8-pentaene (CAS 103620-17-3) is a chemical compound with molecular formula C13H11NO and molecular weight 197.08406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
12-oxa-6-azatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2(7),3,5,8-pentaene
Also Known As: 7,8-Epoxy-7,8,9,10-tetrahydrobenzo(f)quinoline, 1a,8,9,9a-tetrahydro[1]benzoxireno[3,2-f]quinoline, Oxireno[3,4]benzo[1,2-f]quinoline,1a,2,3,9b-tetrahydro-, Oxireno(3,4)benzo(1,2-f)quinoline, 1a,8,9,9a-tetrahydro-
| Molecular Formula | C13H11NO |
| Molecular Weight | 197.08406 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 25.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.08406 Da |
| Heavy Atoms | 15 |
| Complexity | 267.0 |
| SMILES | C1CC2=C(C=CC3=C2C=CC=N3)C4C1O4 |
| InChIKey | SRAQHGMBDWVKBQ-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-Oxa-6-azatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2(7),3,5,8-pentaene. With a topological polar surface area (TPSA) of 25.4 Ų, 12-Oxa-6-azatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2(7),3,5,8-pentaene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Oxa-6-azatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2(7),3,5,8-pentaene 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 12-Oxa-6-azatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2(7),3,5,8-pentaene is 103620-17-3.
The molecular formula of 12-Oxa-6-azatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2(7),3,5,8-pentaene is C13H11NO.
The molecular weight of 12-Oxa-6-azatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2(7),3,5,8-pentaene is 197.08406 g/mol.
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