TL;DR: 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-2,3-bis(4-methylphenyl)-9-methyl- (CAS 124392-77-4) is a chemical compound with molecular formula C26H24N2O and molecular weight 380.18887 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-methyl-2,3-bis(4-methylphenyl)-4,5-dihydro-[1]benzoxepino[5,4-c]pyrazole
Also Known As: 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-2,3-bis(4-methylphenyl)-9-methyl-, 4,5-Dihydro-2,3-bis(4-methylphenyl)-9-methyl-2H-(1)benzoxepino(5,4-c)pyrazole, 9-methyl-2,3-bis(4-methylphenyl)-4,5-dihydro-[1]benzoxepino[5,4-c]pyrazole, 9-Methyl-2,3-bis(4-methylphenyl)-4,5-dihydro-2H-[1]benzoxepino[5,4-c]pyrazole, BRN 4573686
| Molecular Formula | C26H24N2O |
| Molecular Weight | 380.18887 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 27.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 380.18887 Da |
| Heavy Atoms | 29 |
| Complexity | 537.0 |
| SMILES | CC1=CC=C(C=C1)C2=C3CCOC4=C(C3=NN2C5=CC=C(C=C5)C)C=C(C=C4)C |
| InChIKey | RRVYJERJHIYNTN-UHFFFAOYSA-N |
The XLogP value of 6.3 indicates that 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-2,3-bis(4-methylphenyl)-9-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.1 Ų, 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-2,3-bis(4-methylphenyl)-9-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-2,3-bis(4-methylphenyl)-9-methyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-2,3-bis(4-methylphenyl)-9-methyl- is 124392-77-4.
The molecular formula of 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-2,3-bis(4-methylphenyl)-9-methyl- is C26H24N2O.
The molecular weight of 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-2,3-bis(4-methylphenyl)-9-methyl- is 380.18887 g/mol.
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