TL;DR: 4-(Aminomethyl)-9-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one hydrochloride (CAS 78827-47-1) is a chemical compound with molecular formula C13H12ClNO4 and molecular weight 281.04547 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(aminomethyl)-9-methoxyfuro[3,2-g]chromen-7-one;hydrochloride
Also Known As: Ecdysone 2-hemisuccinate, 4-(Aminomethyl)-9-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one hydrochloride, 4-(aminomethyl)-9-methoxyfuro[3,2-g]chromen-7-one, 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-(aminomethyl)-9-methoxy-, hydrochloride, 4-(aminomethyl)-9-methoxyfuro[3,2-g]chromen-7-one,hydrochloride
| Molecular Formula | C13H12ClNO4 |
| Molecular Weight | 281.04547 g/mol |
| XLogP | 2.43 |
| Topological Polar Surface Area (TPSA) | 74.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.04547 Da |
| Heavy Atoms | 19 |
| Complexity | 370.0 |
| SMILES | COC1=C2C(=C(C3=C1OC=C3)CN)C=CC(=O)O2.Cl |
| InChIKey | XUHSZSWVNLLGOL-UHFFFAOYSA-N |
The XLogP value of 2.43 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Aminomethyl)-9-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one hydrochloride. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Aminomethyl)-9-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one hydrochloride. Following Lipinski's Rule of Five, 4-(Aminomethyl)-9-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one hydrochloride has 2 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 4-(Aminomethyl)-9-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one hydrochloride is 78827-47-1.
The molecular formula of 4-(Aminomethyl)-9-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one hydrochloride is C13H12ClNO4.
The molecular weight of 4-(Aminomethyl)-9-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one hydrochloride is 281.04547 g/mol.
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