TL;DR: 2-phenyl-2-(3-(2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)propanamido)acetic acid (CAS 1024020-15-2) is a chemical compound with molecular formula C31H27NO6 and molecular weight 509.18384 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenyl-2-[3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoylamino]acetic acid
Also Known As: 2-phenyl-2-(3-(2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)propanamido)acetic acid, 2-phenyl-2-[3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoylamino]acetic acid, phenyl{[3-(2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)propanoyl]amino}acetic acid
| Molecular Formula | C31H27NO6 |
| Molecular Weight | 509.18384 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 509.18384 Da |
| Heavy Atoms | 38 |
| Complexity | 933.0 |
| SMILES | CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)C4=CC=CC=C4)C)CCC(=O)NC(C5=CC=CC=C5)C(=O)O |
| InChIKey | GXFVYNMRCRBGST-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that 2-phenyl-2-(3-(2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)propanamido)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-phenyl-2-(3-(2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)propanamido)acetic acid. Following Lipinski's Rule of Five, 2-phenyl-2-(3-(2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)propanamido)acetic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-phenyl-2-(3-(2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)propanamido)acetic acid is 1024020-15-2.
The molecular formula of 2-phenyl-2-(3-(2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)propanamido)acetic acid is C31H27NO6.
The molecular weight of 2-phenyl-2-(3-(2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)propanamido)acetic acid is 509.18384 g/mol.
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