TL;DR: 3'-Methyl-6'-nitrospiro[benzo[f]chromene-3,2'-chromene] (CAS 100338-75-8) is a chemical compound with molecular formula C22H15NO4 and molecular weight 357.1001 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3'-methyl-6'-nitrospiro[benzo[f]chromene-3,2'-chromene]
Also Known As: 3'-methyl-6'-nitrospiro[benzo[f]chromene-3,2'-chromene], BAS 01056991, BIM-0020836.P001, (1,3-Dimethoxy-9H-xanthen-4-yl)-methanol, 3-methyl-6-nitrospiro[2H-chromene-2,3'-3H-benzo[f]chromene]
| Molecular Formula | C22H15NO4 |
| Molecular Weight | 357.1001 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 357.1001 Da |
| Heavy Atoms | 27 |
| Complexity | 668.0 |
| SMILES | CC1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC13C=CC4=C(O3)C=CC5=CC=CC=C54 |
| InChIKey | ORVZQQYJOQPSNU-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that 3'-Methyl-6'-nitrospiro[benzo[f]chromene-3,2'-chromene] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Methyl-6'-nitrospiro[benzo[f]chromene-3,2'-chromene]. Following Lipinski's Rule of Five, 3'-Methyl-6'-nitrospiro[benzo[f]chromene-3,2'-chromene] has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3'-Methyl-6'-nitrospiro[benzo[f]chromene-3,2'-chromene] is 100338-75-8.
The molecular formula of 3'-Methyl-6'-nitrospiro[benzo[f]chromene-3,2'-chromene] is C22H15NO4.
The molecular weight of 3'-Methyl-6'-nitrospiro[benzo[f]chromene-3,2'-chromene] is 357.1001 g/mol.
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