ethyl 1-(4-methylbenzenesulfonyl)-2-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylate
TL;DR: ethyl 1-(4-methylbenzenesulfonyl)-2-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylate (CAS 212070-75-2) is a chemical compound with molecular formula C20H21NO4S and molecular weight 371.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydropyrrole-3-carboxylate
Also Known As: efsevin, BCB02_000120, BCB03_000079, ethyl 1-(4-methylbenzenesulfonyl)-2-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylate, J2.027.781E
| Molecular Formula | C20H21NO4S |
|---|---|
| Molecular Weight | 371.12 g/mol |
| LogP | 3.23012 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.11914 |
| Heavy Atoms | 26 |
| Complexity | 918.04333 |
Chemical Identifiers
| CAS Number | 212070-75-2 |
|---|---|
| SMILES | CCOC(=O)C1=CCN(C1C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C |
Product Overview
ethyl 1-(4-methylbenzenesulfonyl)-2-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylate (CAS 212070-75-2), with molecular formula C20H21NO4S and molecular weight 371.12 g/mol. IUPAC: ethyl 1-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydropyrrole-3-carboxylate.
Chemical Property Profile of ethyl 1-(4-methylbenzenesulfonyl)-2-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylate
Property Insights of ethyl 1-(4-methylbenzenesulfonyl)-2-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylate
The XLogP value of 3.23012 indicates that ethyl 1-(4-methylbenzenesulfonyl)-2-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1-(4-methylbenzenesulfonyl)-2-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 1-(4-methylbenzenesulfonyl)-2-phenyl-2,5-dihydro-1H-pyrrole-3-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
Frequently Asked Questions
What is the CAS number of ethyl 1-(4-methylbenzenesulfonyl)-2-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 1-(4-methylbenzenesulfonyl)-2-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylate is 212070-75-2.
What is the molecular formula of ethyl 1-(4-methylbenzenesulfonyl)-2-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 1-(4-methylbenzenesulfonyl)-2-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylate is C20H21NO4S.
What is the molecular weight of ethyl 1-(4-methylbenzenesulfonyl)-2-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 1-(4-methylbenzenesulfonyl)-2-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylate is 371.12 g/mol.
Where can I buy ethyl 1-(4-methylbenzenesulfonyl)-2-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 1-(4-methylbenzenesulfonyl)-2-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 1-(4-methylbenzenesulfonyl)-2-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-(4-methylbenzenesulfonyl)-2-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.