TL;DR: 1'-(Phenylmethyl)-2'-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-indole]one (CAS 851176-09-5) is a chemical compound with molecular formula C21H17N3O2 and molecular weight 343.13208 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1'-benzylspiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-indole]-2'-one
Also Known As: 1'-(phenylmethyl)-2'-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-indole]one, 1'-benzylspiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-indole]-2'-one, BRD-A06909528-001-01-4, 1''-benzylspiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3''-indole]-2''-one, 1''-(phenylmethyl)-2''-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3''-indole]one
| Molecular Formula | C21H17N3O2 |
| Molecular Weight | 343.13208 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.13208 Da |
| Heavy Atoms | 26 |
| Complexity | 535.0 |
| SMILES | C1=CC=C(C=C1)CN2C3=CC=CC=C3C4(C2=O)NNC5=CC=CC=C5O4 |
| InChIKey | JOMQEKIENWKNHV-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 1'-(Phenylmethyl)-2'-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-indole]one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, 1'-(Phenylmethyl)-2'-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-indole]one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1'-(Phenylmethyl)-2'-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-indole]one has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1'-(Phenylmethyl)-2'-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-indole]one is 851176-09-5.
The molecular formula of 1'-(Phenylmethyl)-2'-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-indole]one is C21H17N3O2.
The molecular weight of 1'-(Phenylmethyl)-2'-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-indole]one is 343.13208 g/mol.
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