TL;DR: (1H-Pyrrolo[2,3-b]pyridin-6-yl)methanol (CAS 126348-51-4) is a chemical compound with molecular formula C24H22N2O4 and molecular weight 402.15796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[1-(4-methoxyphenyl)but-3-enyl]-1,3,5-tris(prop-2-ynyl)-1,3-diazinane-2,4,6-trione
Also Known As: (1H-Pyrrolo[2,3-b]pyridin-6-yl)methanol, 5-(1-(4-Methoxyphenyl)-3-butenyl)-1,3,5-tri-2-propynyl-2,4,6(1H,3H,5H)-pyrimidinetrione, (p-Methoxyphenyl-1 buten-3 yl)-5 tris (propyn-2 yl)-1,3,5 trioxo-2,4,6 hexahydropyrimidine, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-(4-methoxyphenyl)-3-butenyl)-1,3,5-tri-2-propynyl-, 5-[1-(4-methoxyphenyl)but-3-enyl]-1,3,5-tris(prop-2-ynyl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C24H22N2O4 |
| Molecular Weight | 402.15796 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.15796 Da |
| Heavy Atoms | 30 |
| Complexity | 813.0 |
| SMILES | COC1=CC=C(C=C1)C(CC=C)C2(C(=O)N(C(=O)N(C2=O)CC#C)CC#C)CC#C |
| InChIKey | FCQKIYNZMUDSGY-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1H-Pyrrolo[2,3-b]pyridin-6-yl)methanol. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (1H-Pyrrolo[2,3-b]pyridin-6-yl)methanol. Following Lipinski's Rule of Five, (1H-Pyrrolo[2,3-b]pyridin-6-yl)methanol has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (1H-Pyrrolo[2,3-b]pyridin-6-yl)methanol is 126348-51-4.
The molecular formula of (1H-Pyrrolo[2,3-b]pyridin-6-yl)methanol is C24H22N2O4.
The molecular weight of (1H-Pyrrolo[2,3-b]pyridin-6-yl)methanol is 402.15796 g/mol.
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