TL;DR: Benz(a)anthracene, 1,2,3,4-tetrahydro-7,12-dimethyl-11-fluoro- (CAS 111771-11-0) is a chemical compound with molecular formula C20H19F and molecular weight 278.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene
Also Known As: Benz(a)anthracene, 1,2,3,4-tetrahydro-7,12-dimethyl-11-fluoro-, 1,2,3,4-Tetrahydro-7,12-dimethyl-11-fluorobenz(a)anthracene, 11-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrotetraphene, 11-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene, BRN 5080297
| Molecular Formula | C20H19F |
| Molecular Weight | 278.14706 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.14706 Da |
| Heavy Atoms | 21 |
| Complexity | 378.0 |
| SMILES | CC1=C2C=CC=C(C2=C(C3=C1C=CC4=C3CCCC4)C)F |
| InChIKey | OAOPYYDISITFMC-UHFFFAOYSA-N |
The XLogP value of 6.6 indicates that Benz(a)anthracene, 1,2,3,4-tetrahydro-7,12-dimethyl-11-fluoro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benz(a)anthracene, 1,2,3,4-tetrahydro-7,12-dimethyl-11-fluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(a)anthracene, 1,2,3,4-tetrahydro-7,12-dimethyl-11-fluoro- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benz(a)anthracene, 1,2,3,4-tetrahydro-7,12-dimethyl-11-fluoro- is 111771-11-0.
The molecular formula of Benz(a)anthracene, 1,2,3,4-tetrahydro-7,12-dimethyl-11-fluoro- is C20H19F.
The molecular weight of Benz(a)anthracene, 1,2,3,4-tetrahydro-7,12-dimethyl-11-fluoro- is 278.14706 g/mol.
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