TL;DR: 3-((5-(4-Chlorophenyl)thieno[2,3-d]pyrimidin-4-yl)thio)propanoic acid (CAS 670270-24-3) is a chemical compound with molecular formula C15H11ClN2O2S2 and molecular weight 349.99506 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid
Also Known As: SDCCGSBI-0660160.P001, 3-((5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl)thio)propanoic acid, 3-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid, 3-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}propanoic acid, F1142-5928
| Molecular Formula | C15H11ClN2O2S2 |
| Molecular Weight | 349.99506 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.99506 Da |
| Heavy Atoms | 22 |
| Complexity | 394.0 |
| SMILES | C1=CC(=CC=C1C2=CSC3=C2C(=NC=N3)SCCC(=O)O)Cl |
| InChIKey | CCBBOQGFKAATRF-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 3-((5-(4-Chlorophenyl)thieno[2,3-d]pyrimidin-4-yl)thio)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((5-(4-Chlorophenyl)thieno[2,3-d]pyrimidin-4-yl)thio)propanoic acid. Following Lipinski's Rule of Five, 3-((5-(4-Chlorophenyl)thieno[2,3-d]pyrimidin-4-yl)thio)propanoic acid has 1 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-((5-(4-Chlorophenyl)thieno[2,3-d]pyrimidin-4-yl)thio)propanoic acid is 670270-24-3.
The molecular formula of 3-((5-(4-Chlorophenyl)thieno[2,3-d]pyrimidin-4-yl)thio)propanoic acid is C15H11ClN2O2S2.
The molecular weight of 3-((5-(4-Chlorophenyl)thieno[2,3-d]pyrimidin-4-yl)thio)propanoic acid is 349.99506 g/mol.
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