TL;DR: 1-(Dimethylamino)-2,3-dihydro-1H-indene-4,5-diol--hydrogen bromide (1/1) (CAS 35059-16-6) is a chemical compound with molecular formula C11H16BrNO2 and molecular weight 273.03644 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(dimethylamino)-2,3-dihydro-1H-indene-4,5-diol;hydrobromide
Also Known As: KST-1B3568, 4,5-Dihydroxy-N,N-dimethylaminoindane hydrobromide, 4,5-Dihydroxy-N,N-dimethyl-2-indanamine hydrobromide, 2-Indanamine, 4,5-dihydroxy-N,N-dimethyl-, hydrobromide, 1-(dimethylamino)-2,3-dihydro-1h-indene-4,5-diol hydrobromide(1:1)
| Molecular Formula | C11H16BrNO2 |
| Molecular Weight | 273.03644 g/mol |
| XLogP | 2.22 |
| Topological Polar Surface Area (TPSA) | 43.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.03644 Da |
| Heavy Atoms | 15 |
| Complexity | 207.0 |
| SMILES | CN(C)C1CCC2=C1C=CC(=C2O)O.Br |
| InChIKey | NVCQWPNBFRDLMQ-UHFFFAOYSA-N |
The XLogP value of 2.22 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Dimethylamino)-2,3-dihydro-1H-indene-4,5-diol--hydrogen bromide (1/1). With a topological polar surface area (TPSA) of 43.7 Ų, 1-(Dimethylamino)-2,3-dihydro-1H-indene-4,5-diol--hydrogen bromide (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Dimethylamino)-2,3-dihydro-1H-indene-4,5-diol--hydrogen bromide (1/1) has 3 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 1-(Dimethylamino)-2,3-dihydro-1H-indene-4,5-diol--hydrogen bromide (1/1) is 35059-16-6.
The molecular formula of 1-(Dimethylamino)-2,3-dihydro-1H-indene-4,5-diol--hydrogen bromide (1/1) is C11H16BrNO2.
The molecular weight of 1-(Dimethylamino)-2,3-dihydro-1H-indene-4,5-diol--hydrogen bromide (1/1) is 273.03644 g/mol.
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