TL;DR: 1,2-CHRYSENEDIOL, 1,2-DIHYDRO-11-METHYL-, trans-(+-)- (CAS 96741-21-8) is a chemical compound with molecular formula C19H16O2 and molecular weight 276.11502 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2R)-11-methyl-1,2-dihydrochrysene-1,2-diol
Also Known As: (1R,2R)-11-methyl-1,2-dihydrochrysene-1,2-diol, (+-)-trans-1,2-Dihydro-11-methyl-1,2-chrysenediol, 1,2-CHRYSENEDIOL, 1,2-DIHYDRO-11-METHYL-, trans-(+-)-, (+-)-trans-7,8-Dihydro-7,8-dihydroxy-5-methylchrysene, trans-7,8-dihydroxy-7,8-dihydro-5-methylchrysene
| Molecular Formula | C19H16O2 |
| Molecular Weight | 276.11502 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 276.11502 Da |
| Heavy Atoms | 21 |
| Complexity | 418.0 |
| SMILES | CC1=CC2=C(C=C[C@H]([C@@H]2O)O)C3=C1C4=CC=CC=C4C=C3 |
| InChIKey | SYSGUSYYWWVOTG-IEBWSBKVSA-N |
The XLogP value of 3.6 indicates that 1,2-CHRYSENEDIOL, 1,2-DIHYDRO-11-METHYL-, trans-(+-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 1,2-CHRYSENEDIOL, 1,2-DIHYDRO-11-METHYL-, trans-(+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-CHRYSENEDIOL, 1,2-DIHYDRO-11-METHYL-, trans-(+-)- has 2 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 1,2-CHRYSENEDIOL, 1,2-DIHYDRO-11-METHYL-, trans-(+-)- is 96741-21-8.
The molecular formula of 1,2-CHRYSENEDIOL, 1,2-DIHYDRO-11-METHYL-, trans-(+-)- is C19H16O2.
The molecular weight of 1,2-CHRYSENEDIOL, 1,2-DIHYDRO-11-METHYL-, trans-(+-)- is 276.11502 g/mol.
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