TL;DR: 1-(3-((2-cyclohexylphenoxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid (CAS 1024019-87-1) is a chemical compound with molecular formula C32H34N2O4 and molecular weight 510.25186 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-[(2-cyclohexylphenoxy)methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Also Known As: 1-(3-((2-cyclohexylphenoxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid, 1-[3-[(2-cyclohexylphenoxy)methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid, 1-{3-[(2-cyclohexylphenoxy)methyl]-4-methoxyphenyl}-1,2,3,4-tetrahydrobeta-car boline-3-carboxylic acid, 1-{3-[(2-cyclohexylphenoxy)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
| Molecular Formula | C32H34N2O4 |
| Molecular Weight | 510.25186 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 83.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 510.25186 Da |
| Heavy Atoms | 38 |
| Complexity | 787.0 |
| SMILES | COC1=C(C=C(C=C1)C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3)COC5=CC=CC=C5C6CCCCC6 |
| InChIKey | BCGIWCUTZNLMGW-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that 1-(3-((2-cyclohexylphenoxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-((2-cyclohexylphenoxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid. Following Lipinski's Rule of Five, 1-(3-((2-cyclohexylphenoxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-(3-((2-cyclohexylphenoxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is 1024019-87-1.
The molecular formula of 1-(3-((2-cyclohexylphenoxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is C32H34N2O4.
The molecular weight of 1-(3-((2-cyclohexylphenoxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is 510.25186 g/mol.
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