TL;DR: Ethyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (CAS 148838-70-4) is a chemical compound with molecular formula C11H11ClN2O2S and molecular weight 270.02298 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
Also Known As: ethyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate, ethyl 4-chloro-2,5-dimethylthieno2,3-dpyrimidine-6-carboxylate, ethyl 4-chloro-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate, ethyl 4-chloro-2,5-dimethylthiopheno[2,3-d]pyrimidine-6-carboxylate, ethyl4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
| Molecular Formula | C11H11ClN2O2S |
| Molecular Weight | 270.02298 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.02298 Da |
| Heavy Atoms | 17 |
| Complexity | 305.0 |
| SMILES | CCOC(=O)C1=C(C2=C(S1)N=C(N=C2Cl)C)C |
| InChIKey | YYCUXTBJUMPPDP-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that Ethyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is 148838-70-4.
The molecular formula of Ethyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is C11H11ClN2O2S.
The molecular weight of Ethyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is 270.02298 g/mol.
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