TL;DR: BENZ(a)ANTHRACENE-3,4-DIOL, 12-(HYDROXYMETHYL)-7-METHYL- (CAS 78776-42-8) is a chemical compound with molecular formula C20H16O3 and molecular weight 304.10995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
12-(hydroxymethyl)-7-methylbenzo[a]anthracene-3,4-diol
Also Known As: 7-Methyl-12-hydroxymethylbenz(a)anthracene-3,4-diol, 12-(hydroxymethyl)-7-methyltetraphene-3,4-diol, BENZ(a)ANTHRACENE-3,4-DIOL, 12-(HYDROXYMETHYL)-7-METHYL-, 12-(Hydroxymethyl)-7-methylbenz(a)anthracene-3,4-diol, 12-(hydroxymethyl)-7-methylbenzo[a]anthracene-3,4-diol
| Molecular Formula | C20H16O3 |
| Molecular Weight | 304.10995 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 304.10995 Da |
| Heavy Atoms | 23 |
| Complexity | 425.0 |
| SMILES | CC1=C2C=CC3=C(C2=C(C4=CC=CC=C14)CO)C=CC(=C3O)O |
| InChIKey | OOMGLGGOTDGCOQ-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that BENZ(a)ANTHRACENE-3,4-DIOL, 12-(HYDROXYMETHYL)-7-METHYL- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BENZ(a)ANTHRACENE-3,4-DIOL, 12-(HYDROXYMETHYL)-7-METHYL-. Following Lipinski's Rule of Five, BENZ(a)ANTHRACENE-3,4-DIOL, 12-(HYDROXYMETHYL)-7-METHYL- has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BENZ(a)ANTHRACENE-3,4-DIOL, 12-(HYDROXYMETHYL)-7-METHYL- is 78776-42-8.
The molecular formula of BENZ(a)ANTHRACENE-3,4-DIOL, 12-(HYDROXYMETHYL)-7-METHYL- is C20H16O3.
The molecular weight of BENZ(a)ANTHRACENE-3,4-DIOL, 12-(HYDROXYMETHYL)-7-METHYL- is 304.10995 g/mol.
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