TL;DR: 1,3,3-trimethyl-8'-nitro-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine] (CAS 121456-71-1) is a chemical compound with molecular formula C22H19N3O3 and molecular weight 373.14264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1',3',3'-trimethyl-8-nitrospiro[benzo[f][1,4]benzoxazine-3,2'-indole]
Also Known As: 1,3,3-trimethyl-8'-nitro-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine], 1',3',3'-trimethyl-8-nitrospiro[benzo[f][1,4]benzoxazine-3,2'-indole], 1,3,3-Trimethyl-8 -nitrospiro[indoline-2,3 -[3H]naphth[2,1-b][1,4]oxazine], 8-Nitro-1 ,3 ,3 -trimethylspiro[3H-naphtho[2,1-b][1,4]oxazine-3,2 -indoline], 1 ,3 ,3 -Trimethyl-8-nitrospiro[3H-naphtho[2,1-b][1,4]oxazine-3,2 (3 H)-[1H]indole]
| Molecular Formula | C22H19N3O3 |
| Molecular Weight | 373.14264 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 70.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 373.14264 Da |
| Heavy Atoms | 28 |
| Complexity | 674.0 |
| SMILES | CC1(C2=CC=CC=C2N(C13C=NC4=C(O3)C=CC5=C4C=CC(=C5)[N+](=O)[O-])C)C |
| InChIKey | WMTKWGIAGGCKSS-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 1,3,3-trimethyl-8'-nitro-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,3-trimethyl-8'-nitro-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine]. Following Lipinski's Rule of Five, 1,3,3-trimethyl-8'-nitro-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine] has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3,3-trimethyl-8'-nitro-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine] is 121456-71-1.
The molecular formula of 1,3,3-trimethyl-8'-nitro-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine] is C22H19N3O3.
The molecular weight of 1,3,3-trimethyl-8'-nitro-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine] is 373.14264 g/mol.
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