TL;DR: 6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine (CAS 139962-78-0) is a chemical compound with molecular formula C12H8ClN3 and molecular weight 229.04068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine
Also Known As: 6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine, 6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 19, 6-(4-chlorophenyl)[5h]pyrrolo[2,3-b]pyrazine, A1-62012
| Molecular Formula | C12H8ClN3 |
| Molecular Weight | 229.04068 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.04068 Da |
| Heavy Atoms | 16 |
| Complexity | 240.0 |
| SMILES | C1=CC(=CC=C1C2=CC3=NC=CN=C3N2)Cl |
| InChIKey | VFKHBJJSGUYSDC-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine. With a topological polar surface area (TPSA) of 41.6 Ų, 6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine is 139962-78-0.
The molecular formula of 6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine is C12H8ClN3.
The molecular weight of 6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine is 229.04068 g/mol.
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