TL;DR: ethyl 1-(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate hydrochloride (CAS 1052530-27-4) is a chemical compound with molecular formula C19H22ClN3O3 and molecular weight 375.13498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate;hydrochloride
Also Known As: ethyl 1-(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate hydrochloride, ethyl 1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate hydrochloride, REGID_for_CID_6603389
| Molecular Formula | C19H22ClN3O3 |
| Molecular Weight | 375.13498 g/mol |
| XLogP | 3.88572 |
| Topological Polar Surface Area (TPSA) | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.13498 Da |
| Heavy Atoms | 26 |
| Complexity | 489.0 |
| SMILES | CCOC(=O)C1CCCN(C1)C2=NC(=NC3=C2OC4=CC=CC=C43)C.Cl |
| InChIKey | MFYXGQOKXSOYLR-UHFFFAOYSA-N |
The XLogP value of 3.88572 indicates that ethyl 1-(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1-(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate hydrochloride. Following Lipinski's Rule of Five, ethyl 1-(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate hydrochloride has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ethyl 1-(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate hydrochloride is 1052530-27-4.
The molecular formula of ethyl 1-(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate hydrochloride is C19H22ClN3O3.
The molecular weight of ethyl 1-(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate hydrochloride is 375.13498 g/mol.
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