TL;DR: methyl 2-(2-((3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate (CAS 1042700-76-4) is a chemical compound with molecular formula C30H30N2O8 and molecular weight 546.2002 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[2-[3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxochromen-7-yl]oxyacetyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
Also Known As: methyl 2-(2-((3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, methyl 2-({[3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl]oxy}acetyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate, methyl 2-[2-[3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxochromen-7-yl]oxyacetyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
| Molecular Formula | C30H30N2O8 |
| Molecular Weight | 546.2002 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 546.2002 Da |
| Heavy Atoms | 40 |
| Complexity | 1030.0 |
| SMILES | CCOC(=O)CCC1=C(C2=C(C=C(C=C2)OCC(=O)N3CC4=C(CC3C(=O)OC)C5=CC=CC=C5N4)OC1=O)C |
| InChIKey | OMXCSPXQMJAXPS-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that methyl 2-(2-((3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2-((3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(2-((3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of methyl 2-(2-((3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate is 1042700-76-4.
The molecular formula of methyl 2-(2-((3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate is C30H30N2O8.
The molecular weight of methyl 2-(2-((3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate is 546.2002 g/mol.
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