TL;DR: ethyl 4-(4-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)benzoate (CAS 1185148-14-4) is a chemical compound with molecular formula C25H24N4O6 and molecular weight 476.1696 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[6-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,4-dioxopyrimidin-1-yl]benzoate
Also Known As: ethyl 4-(4-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)benzoate, ethyl 4-[2,4-dihydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)-6-oxopyrimidin-1(6H)-yl]benzoate, ethyl 4-[6-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,4-dioxopyrimidin-1-yl]benzoate
| Molecular Formula | C25H24N4O6 |
| Molecular Weight | 476.1696 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.1696 Da |
| Heavy Atoms | 35 |
| Complexity | 885.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=C(C(=O)NC2=O)C3C4=C(CCN3)C5=C(N4)C=CC(=C5)OC)O |
| InChIKey | NBAXUOYDLQPDMW-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(4-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)benzoate. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(4-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)benzoate. Following Lipinski's Rule of Five, ethyl 4-(4-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)benzoate has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ethyl 4-(4-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)benzoate is 1185148-14-4.
The molecular formula of ethyl 4-(4-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)benzoate is C25H24N4O6.
The molecular weight of ethyl 4-(4-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)benzoate is 476.1696 g/mol.
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