TL;DR: 2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid (CAS 1214163-84-4) is a chemical compound with molecular formula C30H30N2O7 and molecular weight 530.2053 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
Also Known As: 2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid, 2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid, N-[(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-5-hydroxytryptophan
| Molecular Formula | C30H30N2O7 |
| Molecular Weight | 530.2053 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 530.2053 Da |
| Heavy Atoms | 39 |
| Complexity | 1020.0 |
| SMILES | CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=CO3)C(C)(C)C)C)CC(=O)NC(CC4=CNC5=C4C=C(C=C5)O)C(=O)O |
| InChIKey | YGVVVYBQGCZBQE-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting 2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is 1214163-84-4.
The molecular formula of 2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is C30H30N2O7.
The molecular weight of 2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is 530.2053 g/mol.
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