TL;DR: 1,2-Epoxy-1,2,3,4-tetrahydrodibenzo(a,h)pyrene (CAS 78859-23-1) is a chemical compound with molecular formula C24H16O and molecular weight 320.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-oxaheptacyclo[11.10.2.02,8.05,7.010,24.014,19.021,25]pentacosa-1(24),2(8),9,11,13(25),14,16,18,20,22-decaene
Also Known As: 1,2-Epoxy-1,2,3,4-tetrahydrodibenzo(a,h)pyrene, DIBENZO(b,def)CHRYSENE, 1,2-EPOXY-1,2,3,4-TETRAHYDRO-, 1,2-Epoxy-1,2,3,4-tetrahydrodibenzo[b,def]chrysene, 1a,2,3,13b-Tetrahydrodibenzo[1,12:3,4]tetrapheno[8,9-b]oxirene, 6-oxaheptacyclo[11.10.2.02,8.05,7.010,24.014,19.021,25]pentacosa-1,8,10,12,14,16,18,20,22,24-decaene
| Molecular Formula | C24H16O |
| Molecular Weight | 320.12012 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 320.12012 Da |
| Heavy Atoms | 25 |
| Complexity | 556.0 |
| SMILES | C1CC2=C(C=C3C=CC4=C5C3=C2C=CC5=CC6=CC=CC=C46)C7C1O7 |
| InChIKey | ZORSMYAEOMOFPZ-UHFFFAOYSA-N |
The XLogP value of 5.9 indicates that 1,2-Epoxy-1,2,3,4-tetrahydrodibenzo(a,h)pyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 1,2-Epoxy-1,2,3,4-tetrahydrodibenzo(a,h)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Epoxy-1,2,3,4-tetrahydrodibenzo(a,h)pyrene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,2-Epoxy-1,2,3,4-tetrahydrodibenzo(a,h)pyrene is 78859-23-1.
The molecular formula of 1,2-Epoxy-1,2,3,4-tetrahydrodibenzo(a,h)pyrene is C24H16O.
The molecular weight of 1,2-Epoxy-1,2,3,4-tetrahydrodibenzo(a,h)pyrene is 320.12012 g/mol.
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