TL;DR: 3-(4-chlorophenyl)-2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)propanoic acid (CAS 1214102-17-6) is a chemical compound with molecular formula C28H26ClNO6 and molecular weight 507.14487 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chlorophenyl)-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]propanoic acid
Also Known As: 3-(4-chlorophenyl)-2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)propanoic acid, 3-(4-chlorophenyl)-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]propanoic acid, 4-chloro-N-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]phenylalanine
| Molecular Formula | C28H26ClNO6 |
| Molecular Weight | 507.14487 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 507.14487 Da |
| Heavy Atoms | 36 |
| Complexity | 896.0 |
| SMILES | CC1=C(C(=O)OC2=CC3=C(C=C12)C4=C(O3)CCCC4)CCC(=O)NC(CC5=CC=C(C=C5)Cl)C(=O)O |
| InChIKey | HEKZLQORAIWURO-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 3-(4-chlorophenyl)-2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)propanoic 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 3-(4-chlorophenyl)-2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)propanoic acid. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)propanoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(4-chlorophenyl)-2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)propanoic acid is 1214102-17-6.
The molecular formula of 3-(4-chlorophenyl)-2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)propanoic acid is C28H26ClNO6.
The molecular weight of 3-(4-chlorophenyl)-2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)propanoic acid is 507.14487 g/mol.
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