TL;DR: ethyl 4-acetyl-5-[(acetyloxy)methyl]-3-methyl-1H-pyrrole-2-carboxylate (CAS 143583-56-6) is a chemical compound with molecular formula C13H17NO5 and molecular weight 267.1107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-acetyl-5-(acetyloxymethyl)-3-methyl-1H-pyrrole-2-carboxylate
Also Known As: ethyl 4-acetyl-5-[(acetyloxy)methyl]-3-methyl-1H-pyrrole-2-carboxylate, ethyl 4-acetyl-5-(acetyloxymethyl)-3-methyl-1H-pyrrole-2-carboxylate, I14-34885, Ethyl 5-(acetoxymethyl)-4-acetyl-3-methyl-1H-pyrrole-2-carboxylate, ethyl 5-acetoxymethyl-4-acetyl-3-methylpyrrole-2-carboxylate
| Molecular Formula | C13H17NO5 |
| Molecular Weight | 267.1107 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 85.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 267.1107 Da |
| Heavy Atoms | 19 |
| Complexity | 368.0 |
| SMILES | CCOC(=O)C1=C(C(=C(N1)COC(=O)C)C(=O)C)C |
| InChIKey | RXELAUDTOWNGKR-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-acetyl-5-[(acetyloxy)methyl]-3-methyl-1H-pyrrole-2-carboxylate. The TPSA of 85.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-acetyl-5-[(acetyloxy)methyl]-3-methyl-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 4-acetyl-5-[(acetyloxy)methyl]-3-methyl-1H-pyrrole-2-carboxylate has 1 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-acetyl-5-[(acetyloxy)methyl]-3-methyl-1H-pyrrole-2-carboxylate is 143583-56-6.
The molecular formula of ethyl 4-acetyl-5-[(acetyloxy)methyl]-3-methyl-1H-pyrrole-2-carboxylate is C13H17NO5.
The molecular weight of ethyl 4-acetyl-5-[(acetyloxy)methyl]-3-methyl-1H-pyrrole-2-carboxylate is 267.1107 g/mol.
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