TL;DR: Coumarin, 6-amino-3-(1-pyrrolidinylcarbonyl)- (CAS 18144-55-3) is a chemical compound with molecular formula C14H14N2O3 and molecular weight 258.10043 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-amino-3-(pyrrolidine-1-carbonyl)chromen-2-one
Also Known As: 3-Coumarinacetylmorpholide, 6-Amino-3-(1-pyrrolidinylcarbonyl)coumarin, 6-amino-3-(pyrrolidine-1-carbonyl)chromen-2-one, 6-Amino-3-(pyrrolidine-1-carbonyl)-2H-chromen-2-one, COUMARIN, 6-AMINO-3-(1-PYRROLIDINYLCARBONYL)-
| Molecular Formula | C14H14N2O3 |
| Molecular Weight | 258.10043 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.10043 Da |
| Heavy Atoms | 19 |
| Complexity | 426.0 |
| SMILES | C1CCN(C1)C(=O)C2=CC3=C(C=CC(=C3)N)OC2=O |
| InChIKey | JMMNFKYSQYCWBR-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarin, 6-amino-3-(1-pyrrolidinylcarbonyl)-. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumarin, 6-amino-3-(1-pyrrolidinylcarbonyl)-. Following Lipinski's Rule of Five, Coumarin, 6-amino-3-(1-pyrrolidinylcarbonyl)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Coumarin, 6-amino-3-(1-pyrrolidinylcarbonyl)- is 18144-55-3.
The molecular formula of Coumarin, 6-amino-3-(1-pyrrolidinylcarbonyl)- is C14H14N2O3.
The molecular weight of Coumarin, 6-amino-3-(1-pyrrolidinylcarbonyl)- is 258.10043 g/mol.
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