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Ethyl 1-[(2-Chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate
TL;DR: Ethyl 1-[(2-Chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate (CAS 173908-11-7) is a chemical compound with molecular formula C13H12ClNO4S and molecular weight 313.01755 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-(2-chlorophenyl)sulfonylpyrrole-2-carboxylate
Also Known As: Pyrrolyl Phenyl Sulfone deriv., Ethyl 1-[(2-Chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate, ethyl 1-(2-chlorophenyl)sulfonylpyrrole-2-carboxylate, Ethyl 1-((2-Chlorophenyl)sulfonyl)-1H-pyrrole-2-carboxylate, (S)-5-AZA-SPIRO[2.4]HEPT-7-YLAMINE 2HCL
Technical Specifications
| Molecular Formula | C13H12ClNO4S |
| Molecular Weight | 313.01755 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 73.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.01755 Da |
| Heavy Atoms | 20 |
| Complexity | 448.0 |
| SMILES | CCOC(=O)C1=CC=CN1S(=O)(=O)C2=CC=CC=C2Cl |
| InChIKey | SLYHWYGJPHJCOK-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 1-[(2-Chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate
Property Insights of Ethyl 1-[(2-Chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate
The XLogP value of 3.1 indicates that Ethyl 1-[(2-Chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-[(2-Chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-[(2-Chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate has 0 hydrogen bond donor(s) and 4 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 1-[(2-Chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate?
The CAS number of Ethyl 1-[(2-Chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate is 173908-11-7.
What is the molecular formula of Ethyl 1-[(2-Chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate?
The molecular formula of Ethyl 1-[(2-Chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate is C13H12ClNO4S.
What is the molecular weight of Ethyl 1-[(2-Chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate?
The molecular weight of Ethyl 1-[(2-Chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate is 313.01755 g/mol.
Where can I buy Ethyl 1-[(2-Chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate?
You can request a quote for Ethyl 1-[(2-Chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 1-[(2-Chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 1-[(2-Chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.