TL;DR: 7a,8a,9,10-Tetrahydro-7h-pyreno[1',2':5,6]cyclohepta[1,2-b]oxirene (CAS 101030-77-7) is a chemical compound with molecular formula C21H16O and molecular weight 284.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-oxahexacyclo[12.6.2.02,9.05,7.011,21.018,22]docosa-1(21),2(9),10,12,14(22),15,17,19-octaene
Also Known As: 10H,11H-Cycloheptapyrene 8,9-oxide, 8,9,10,11-Tetrahydro-8,9-epoxy-7H-cyclohepta[a]pyrene, 8,9-Epoxy-8,9,10,11-tetrahydro-7H-cyclohepta(a)pyrene, 7a,8a,9,10-tetrahydro-7h-pyreno[1',2':5,6]cyclohepta[1,2-b]oxirene, 7H-CYCLOHEPTA(a)PYRENE, 8,9,10,11-TETRAHYDRO-8,9-EPOXY-
| Molecular Formula | C21H16O |
| Molecular Weight | 284.12012 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 284.12012 Da |
| Heavy Atoms | 22 |
| Complexity | 459.0 |
| SMILES | C1CC2=C(CC3C1O3)C=C4C=CC5=C6C4=C2C=CC6=CC=C5 |
| InChIKey | GXPGBCCQKKYQHP-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that 7a,8a,9,10-Tetrahydro-7h-pyreno[1',2':5,6]cyclohepta[1,2-b]oxirene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 7a,8a,9,10-Tetrahydro-7h-pyreno[1',2':5,6]cyclohepta[1,2-b]oxirene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7a,8a,9,10-Tetrahydro-7h-pyreno[1',2':5,6]cyclohepta[1,2-b]oxirene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 7a,8a,9,10-Tetrahydro-7h-pyreno[1',2':5,6]cyclohepta[1,2-b]oxirene is 101030-77-7.
The molecular formula of 7a,8a,9,10-Tetrahydro-7h-pyreno[1',2':5,6]cyclohepta[1,2-b]oxirene is C21H16O.
The molecular weight of 7a,8a,9,10-Tetrahydro-7h-pyreno[1',2':5,6]cyclohepta[1,2-b]oxirene is 284.12012 g/mol.
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