TL;DR: 2,4-dichloro-N-(thieno[2,3-d]pyrimidin-4-yl)benzamide (CAS 1004052-57-6) is a chemical compound with molecular formula C13H7Cl2N3OS and molecular weight 322.9687 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dichloro-N-thieno[2,3-d]pyrimidin-4-ylbenzamide
Also Known As: 2,4-dichloro-N-(thieno[2,3-d]pyrimidin-4-yl)benzamide, 2,4-dichloro-N-thieno[2,3-d]pyrimidin-4-ylbenzamide, F2733-0020, 2,4-DICHLORO-N-{THIENO[2,3-D]PYRIMIDIN-4-YL}BENZAMIDE, N-(1-thia-5,7-diaza-4-indenyl)2,4-dichlorobenzamide
| Molecular Formula | C13H7Cl2N3OS |
| Molecular Weight | 322.9687 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.9687 Da |
| Heavy Atoms | 20 |
| Complexity | 374.0 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)C(=O)NC2=C3C=CSC3=NC=N2 |
| InChIKey | GGSJWIUEGAKKRL-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 2,4-dichloro-N-(thieno[2,3-d]pyrimidin-4-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-dichloro-N-(thieno[2,3-d]pyrimidin-4-yl)benzamide. Following Lipinski's Rule of Five, 2,4-dichloro-N-(thieno[2,3-d]pyrimidin-4-yl)benzamide has 1 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 2,4-dichloro-N-(thieno[2,3-d]pyrimidin-4-yl)benzamide is 1004052-57-6.
The molecular formula of 2,4-dichloro-N-(thieno[2,3-d]pyrimidin-4-yl)benzamide is C13H7Cl2N3OS.
The molecular weight of 2,4-dichloro-N-(thieno[2,3-d]pyrimidin-4-yl)benzamide is 322.9687 g/mol.
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