TL;DR: 1-[(4-Chlorophenyl)methyl]-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene (CAS 126370-96-5) is a chemical compound with molecular formula C21H16ClN and molecular weight 317.09714 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-chlorophenyl)methyl]-1a,9b-dihydrophenanthro[9,10-b]azirine
Also Known As: 1-((4-Chlorophenyl)methyl)-1a,9b-dihydro-1H-phenanthro(9,10-b)azirine, 1H-Phenanthra(9,10-b)azirine, 1-((4-chlorophenyl)methyl)-1a,9b-dihydro-, 1-[(4-chlorophenyl)methyl]-1a,9b-dihydrophenanthro[9,10-b]azirine, 1-[(4-Chlorophenyl)methyl]-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene, 1-[(4-CHLOROPHENYL)METHYL]-1A,9B-DIHYDRO-1H-PHENANTHRO[9,10-B]AZIRINE
| Molecular Formula | C21H16ClN |
| Molecular Weight | 317.09714 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 3.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.09714 Da |
| Heavy Atoms | 23 |
| Complexity | 402.0 |
| SMILES | C1=CC=C2C(=C1)C3C(N3CC4=CC=C(C=C4)Cl)C5=CC=CC=C52 |
| InChIKey | BJXDXHVBKBXTAG-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 1-[(4-Chlorophenyl)methyl]-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.0 Ų, 1-[(4-Chlorophenyl)methyl]-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(4-Chlorophenyl)methyl]-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[(4-Chlorophenyl)methyl]-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene is 126370-96-5.
The molecular formula of 1-[(4-Chlorophenyl)methyl]-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene is C21H16ClN.
The molecular weight of 1-[(4-Chlorophenyl)methyl]-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene is 317.09714 g/mol.
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