TL;DR: 2'-Phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine] (CAS 140473-08-1) is a chemical compound with molecular formula C21H22N2O and molecular weight 318.17322 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
Also Known As: 2'-phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine], AF-399/34897033, F1443-6355, 2-phenyl-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,1'-cyclohexane], 4'-phenyl-8'-oxa-5',6'-diazaspiro[cyclohexane-1,7'-tricyclo[7.4.0.0^{2,6}]tridecane]-1'(9'),4',10',12'-tetraene
| Molecular Formula | C21H22N2O |
| Molecular Weight | 318.17322 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 24.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.17322 Da |
| Heavy Atoms | 24 |
| Complexity | 490.0 |
| SMILES | C1CCC2(CC1)N3C(CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5O2 |
| InChIKey | KEGFGPIAIGHPHO-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 2'-Phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.8 Ų, 2'-Phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine] exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2'-Phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine] has 0 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 2'-Phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine] is 140473-08-1.
The molecular formula of 2'-Phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine] is C21H22N2O.
The molecular weight of 2'-Phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine] is 318.17322 g/mol.
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