ethyl 4-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
TL;DR: ethyl 4-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate (CAS 125102-42-3) is a chemical compound with molecular formula C11H14ClNO3 and molecular weight 243.06622 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: ethyl 4-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate, 4-(2-Chloro-acetyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester, 1H-Pyrrole-3-carboxylic acid, 4-(2-chloroacetyl)-2,5-dimethyl-, ethyl ester, 1H-Pyrrole-3-carboxylic acid, 4-(chloroacetyl)-2,5-dimethyl-, ethyl ester (9CI), ethyl 4-(2-chloroacetyl)-2,5-dimethylpyrrole-3-carboxylate
Technical Specifications
| Molecular Formula | C11H14ClNO3 |
| Molecular Weight | 243.06622 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 59.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 243.06622 Da |
| Heavy Atoms | 16 |
| Complexity | 282.0 |
| SMILES | CCOC(=O)C1=C(NC(=C1C(=O)CCl)C)C |
| InChIKey | ZRAOZMOUBXPYMW-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 4-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
Property Insights of ethyl 4-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate. With a topological polar surface area (TPSA) of 59.2 Ų, ethyl 4-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ethyl 4-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 4-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate is 125102-42-3.
What is the molecular formula of ethyl 4-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 4-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate is C11H14ClNO3.
What is the molecular weight of ethyl 4-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 4-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate is 243.06622 g/mol.
Where can I buy ethyl 4-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 4-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 4-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 4-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.