TL;DR: 5-hydroxy-N-[(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]tryptophan (CAS 1214819-96-1) is a chemical compound with molecular formula C27H24N2O7 and molecular weight 488.15836 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(5-hydroxy-1H-indol-3-yl)-2-[[2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]propanoic acid
Also Known As: 3-(5-hydroxy-1H-indol-3-yl)-2-(2-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)propanoic acid, 5-hydroxy-N-[(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]tryptophan, 3-(5-hydroxy-1H-indol-3-yl)-2-[[2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]propanoic acid
| Molecular Formula | C27H24N2O7 |
| Molecular Weight | 488.15836 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.15836 Da |
| Heavy Atoms | 36 |
| Complexity | 935.0 |
| SMILES | CC1=C(OC2=CC3=C(C=C12)C(=C(C(=O)O3)CC(=O)NC(CC4=CNC5=C4C=C(C=C5)O)C(=O)O)C)C |
| InChIKey | WSGMZSOLRCWGIM-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 5-hydroxy-N-[(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]tryptophan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting 5-hydroxy-N-[(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]tryptophan may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-hydroxy-N-[(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]tryptophan has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-hydroxy-N-[(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]tryptophan is 1214819-96-1.
The molecular formula of 5-hydroxy-N-[(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]tryptophan is C27H24N2O7.
The molecular weight of 5-hydroxy-N-[(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]tryptophan is 488.15836 g/mol.
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