TL;DR: (7R,12S)-10-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol (CAS 114624-39-4) is a chemical compound with molecular formula C20H21FO2 and molecular weight 312.15256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7R,12S)-10-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol
Also Known As: KST-1A0681, (7r,12s)-10-fluoro-7,12-dimethyl-1,2,3,4,7,12-hexahydrotetraphene-7,12-diol, (7R,12S)-10-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol, Benz(a)anthracene-7,12-diol, 10-fluoro-1,2,3,4,7,12-hexahydro-7,12-dimethyl-, cis-, 10-fluoro-1,2,3,4,7,12-hexahydro-7,12-dimethylbenzanthracene-7,12-diol
| Molecular Formula | C20H21FO2 |
| Molecular Weight | 312.15256 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 312.15256 Da |
| Heavy Atoms | 23 |
| Complexity | 469.0 |
| SMILES | C[C@]1(C2=C(C=C(C=C2)F)[C@](C3=C1C=CC4=C3CCCC4)(C)O)O |
| InChIKey | NHYWRIBSCPHRAD-UXHICEINSA-N |
The XLogP value of 3.5 indicates that (7R,12S)-10-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, (7R,12S)-10-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (7R,12S)-10-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol has 2 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 (7R,12S)-10-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol is 114624-39-4.
The molecular formula of (7R,12S)-10-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol is C20H21FO2.
The molecular weight of (7R,12S)-10-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol is 312.15256 g/mol.
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