TL;DR: BENZ(a)ANTHRACENE, 1,2-DIHYDRO-1,2-DIHYDROXY-7-METHYL-, (E)- (CAS 64521-13-7) 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)-7-methyl-1,2-dihydrobenzo[a]anthracene-1,2-diol
Also Known As: trans-7-Methylbenz(a)anthracene-1,2-dihydrodiol, -1,2-Dihydro-7-methylbenz[a]anthracene-1,2-diol, trans-1,2-Dihydro-1,2-dihydroxy-7-methylbenz(a)anthracene, BENZ(a)ANTHRACENE, 1,2-DIHYDRO-1,2-DIHYDROXY-7-METHYL-, (E)-, (1R,2R)-7-METHYL-1,2-DIHYDROTETRAPHENE-1,2-DIOL
| 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=C2C=CC3=C(C2=CC4=CC=CC=C14)[C@H]([C@@H](C=C3)O)O |
| InChIKey | FEAIBUITOVTPCD-MJGOQNOKSA-N |
The XLogP value of 3.6 indicates that BENZ(a)ANTHRACENE, 1,2-DIHYDRO-1,2-DIHYDROXY-7-METHYL-, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, BENZ(a)ANTHRACENE, 1,2-DIHYDRO-1,2-DIHYDROXY-7-METHYL-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BENZ(a)ANTHRACENE, 1,2-DIHYDRO-1,2-DIHYDROXY-7-METHYL-, (E)- 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 BENZ(a)ANTHRACENE, 1,2-DIHYDRO-1,2-DIHYDROXY-7-METHYL-, (E)- is 64521-13-7.
The molecular formula of BENZ(a)ANTHRACENE, 1,2-DIHYDRO-1,2-DIHYDROXY-7-METHYL-, (E)- is C19H16O2.
The molecular weight of BENZ(a)ANTHRACENE, 1,2-DIHYDRO-1,2-DIHYDROXY-7-METHYL-, (E)- is 276.11502 g/mol.
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