TL;DR: 1-Amino-3-(2,3-dihydro-1,4-benzodioxin-2-ylmethoxy)propan-2-ol hydrochloride (CAS 1049784-61-3) is a chemical compound with molecular formula C12H18ClNO4 and molecular weight 275.09244 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-amino-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)propan-2-ol;hydrochloride
Also Known As: 1-Amino-3-(2,3-dihydro-1,4-benzodioxin-2-ylmethoxy)propan-2-ol hydrochloride, VU0494277-1, L-3736, 1-amino-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)propan-2-ol;hydrochloride, 1-amino-3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methoxy]propan-2-ol hydrochloride
| Molecular Formula | C12H18ClNO4 |
| Molecular Weight | 275.09244 g/mol |
| XLogP | 0.5844 |
| Topological Polar Surface Area (TPSA) | 73.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.09244 Da |
| Heavy Atoms | 18 |
| Complexity | 227.0 |
| SMILES | C1C(OC2=CC=CC=C2O1)COCC(CN)O.Cl |
| InChIKey | OVKXZTGWVRPGTH-UHFFFAOYSA-N |
The XLogP value of 0.5844 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Amino-3-(2,3-dihydro-1,4-benzodioxin-2-ylmethoxy)propan-2-ol hydrochloride. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Amino-3-(2,3-dihydro-1,4-benzodioxin-2-ylmethoxy)propan-2-ol hydrochloride. Following Lipinski's Rule of Five, 1-Amino-3-(2,3-dihydro-1,4-benzodioxin-2-ylmethoxy)propan-2-ol hydrochloride has 3 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-Amino-3-(2,3-dihydro-1,4-benzodioxin-2-ylmethoxy)propan-2-ol hydrochloride is 1049784-61-3.
The molecular formula of 1-Amino-3-(2,3-dihydro-1,4-benzodioxin-2-ylmethoxy)propan-2-ol hydrochloride is C12H18ClNO4.
The molecular weight of 1-Amino-3-(2,3-dihydro-1,4-benzodioxin-2-ylmethoxy)propan-2-ol hydrochloride is 275.09244 g/mol.
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