TL;DR: (3-Amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl)(phenyl)methanone (CAS 126888-13-9) is a chemical compound with molecular formula C27H20N2O2S and molecular weight 436.12454 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-phenylmethanone
Also Known As: BAS 00867692, (3-Amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl)(phenyl)methanone, [3-Amino-4-(4-methoxy-phenyl)-6-phenyl-thieno[2,3-b]pyridin-2-yl]-phenyl-methanone, [3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-phenylmethanone, 3-amino-4-(4-methoxyphenyl)-6-phenylthiopheno[2,3-b]pyridin-2-yl phenyl ketone
| Molecular Formula | C27H20N2O2S |
| Molecular Weight | 436.12454 g/mol |
| XLogP | 7.0 |
| Topological Polar Surface Area (TPSA) | 93.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.12454 Da |
| Heavy Atoms | 32 |
| Complexity | 625.0 |
| SMILES | COC1=CC=C(C=C1)C2=CC(=NC3=C2C(=C(S3)C(=O)C4=CC=CC=C4)N)C5=CC=CC=C5 |
| InChIKey | HFKVKNODEQMBBB-UHFFFAOYSA-N |
The XLogP value of 7.0 indicates that (3-Amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl)(phenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl)(phenyl)methanone. Following Lipinski's Rule of Five, (3-Amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl)(phenyl)methanone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (3-Amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl)(phenyl)methanone is 126888-13-9.
The molecular formula of (3-Amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl)(phenyl)methanone is C27H20N2O2S.
The molecular weight of (3-Amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl)(phenyl)methanone is 436.12454 g/mol.
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