TL;DR: 9-Fluoro-2,3-dihydrobenzo(k)fluoranthene-2,3-diol (CAS 116208-70-9) is a chemical compound with molecular formula C20H13FO2 and molecular weight 304.08997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-fluoro-2,3-dihydrobenzo[k]fluoranthene-2,3-diol
Also Known As: 9-Fluoro-2,3-dihydrobenzo(k)fluoranthene-2,3-diol, 9-fluoro-2,3-dihydrobenzo[k]fluoranthene-2,3-diol, Benzo(k)fluoranthene-2,3-diol, 9-fluoro-2,3-dihydro-, Benzo[k]fluoranthene-2,3-diol,9-fluoro-2,3-dihydro-, BOC-TOTA-N3 1-(T-BUTYLOXYCARBONYL-AMINO)-4,7,10-TRIOXA-13-TRIDECANAZIDE
| Molecular Formula | C20H13FO2 |
| Molecular Weight | 304.08997 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 304.08997 Da |
| Heavy Atoms | 23 |
| Complexity | 518.0 |
| SMILES | C1=CC2=C3C(=C1)C(C(C=C3C4=C2C=C5C=C(C=CC5=C4)F)O)O |
| InChIKey | AYIYCBCMCMSDDU-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 9-Fluoro-2,3-dihydrobenzo(k)fluoranthene-2,3-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, 9-Fluoro-2,3-dihydrobenzo(k)fluoranthene-2,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Fluoro-2,3-dihydrobenzo(k)fluoranthene-2,3-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 9-Fluoro-2,3-dihydrobenzo(k)fluoranthene-2,3-diol is 116208-70-9.
The molecular formula of 9-Fluoro-2,3-dihydrobenzo(k)fluoranthene-2,3-diol is C20H13FO2.
The molecular weight of 9-Fluoro-2,3-dihydrobenzo(k)fluoranthene-2,3-diol is 304.08997 g/mol.
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