TL;DR: 6-(3-methoxyphenyl)-2-(4-methylcyclohexyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione (CAS 1030911-24-0) is a chemical compound with molecular formula C28H31N3O3 and molecular weight 457.23654 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-methoxyphenyl)-6-(4-methylcyclohexyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Also Known As: 6-(3-methoxyphenyl)-2-(4-methylcyclohexyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione, 6-(3-methoxyphenyl)-2-(4-methylcyclohexyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
| Molecular Formula | C28H31N3O3 |
| Molecular Weight | 457.23654 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 65.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 457.23654 Da |
| Heavy Atoms | 34 |
| Complexity | 781.0 |
| SMILES | CC1CCC(CC1)N2CC(=O)N3C(C2=O)CC4=C(C3C5=CC(=CC=C5)OC)NC6=CC=CC=C46 |
| InChIKey | AGMRYLZCJAJOQF-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that 6-(3-methoxyphenyl)-2-(4-methylcyclohexyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(3-methoxyphenyl)-2-(4-methylcyclohexyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione. Following Lipinski's Rule of Five, 6-(3-methoxyphenyl)-2-(4-methylcyclohexyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-(3-methoxyphenyl)-2-(4-methylcyclohexyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione is 1030911-24-0.
The molecular formula of 6-(3-methoxyphenyl)-2-(4-methylcyclohexyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione is C28H31N3O3.
The molecular weight of 6-(3-methoxyphenyl)-2-(4-methylcyclohexyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione is 457.23654 g/mol.
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