TL;DR: 3-hydroxybenzaldehyde 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylhydrazone (CAS 1213267-96-9) is a chemical compound with molecular formula C17H16N4OS and molecular weight 324.1045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(E)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]phenol
Also Known As: 3-hydroxybenzaldehyde 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylhydrazone, AF-399/40655355, 3-[(E)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]phenol, (E)-3-((2-(5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)hydrazono)methyl)phenol, 3-[(1E)-2-(5,6,7,8-tetrahydrobenzo[b]thiopheno[3,2-e]pyrimidin-4-ylamino)-2-az avinyl]phenol
| Molecular Formula | C17H16N4OS |
| Molecular Weight | 324.1045 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 98.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.1045 Da |
| Heavy Atoms | 23 |
| Complexity | 435.0 |
| SMILES | C1CCC2=C(C1)C3=C(N=CN=C3S2)N/N=C/C4=CC(=CC=C4)O |
| InChIKey | QUEGIWVIZDVOPL-AWQFTUOYSA-N |
The XLogP value of 4.4 indicates that 3-hydroxybenzaldehyde 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylhydrazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-hydroxybenzaldehyde 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylhydrazone. Following Lipinski's Rule of Five, 3-hydroxybenzaldehyde 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylhydrazone has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-hydroxybenzaldehyde 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylhydrazone is 1213267-96-9.
The molecular formula of 3-hydroxybenzaldehyde 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylhydrazone is C17H16N4OS.
The molecular weight of 3-hydroxybenzaldehyde 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylhydrazone is 324.1045 g/mol.
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