Ethyl 5-(4-chlorophenyl)-2-methyl-1-phenylpyrrole-3-carboxylate
TL;DR: Ethyl 5-(4-chlorophenyl)-2-methyl-1-phenylpyrrole-3-carboxylate (CAS 131721-28-3) is a chemical compound with molecular formula C20H18ClNO2 and molecular weight 339.1026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-(4-chlorophenyl)-2-methyl-1-phenylpyrrole-3-carboxylate
Also Known As: NAP-1, NAP1, NAP 1, ethyl 5-(4-chlorophenyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylate, ethyl 5-(4-chlorophenyl)-2-methyl-1-phenylpyrrole-3-carboxylate, BRD-K38145174-001-01-2, 5-(4-Chloro-phenyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester
Technical Specifications
| Molecular Formula | C20H18ClNO2 |
| Molecular Weight | 339.1026 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.1026 Da |
| Heavy Atoms | 24 |
| Complexity | 416.0 |
| SMILES | CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C |
| InChIKey | RYNBQQWODYCGRR-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 5-(4-chlorophenyl)-2-methyl-1-phenylpyrrole-3-carboxylate
Property Insights of Ethyl 5-(4-chlorophenyl)-2-methyl-1-phenylpyrrole-3-carboxylate
The XLogP value of 5.2 indicates that Ethyl 5-(4-chlorophenyl)-2-methyl-1-phenylpyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.2 Ų, Ethyl 5-(4-chlorophenyl)-2-methyl-1-phenylpyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-(4-chlorophenyl)-2-methyl-1-phenylpyrrole-3-carboxylate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ethyl 5-(4-chlorophenyl)-2-methyl-1-phenylpyrrole-3-carboxylate?
The CAS number of Ethyl 5-(4-chlorophenyl)-2-methyl-1-phenylpyrrole-3-carboxylate is 131721-28-3.
What is the molecular formula of Ethyl 5-(4-chlorophenyl)-2-methyl-1-phenylpyrrole-3-carboxylate?
The molecular formula of Ethyl 5-(4-chlorophenyl)-2-methyl-1-phenylpyrrole-3-carboxylate is C20H18ClNO2.
What is the molecular weight of Ethyl 5-(4-chlorophenyl)-2-methyl-1-phenylpyrrole-3-carboxylate?
The molecular weight of Ethyl 5-(4-chlorophenyl)-2-methyl-1-phenylpyrrole-3-carboxylate is 339.1026 g/mol.
Where can I buy Ethyl 5-(4-chlorophenyl)-2-methyl-1-phenylpyrrole-3-carboxylate?
You can request a quote for Ethyl 5-(4-chlorophenyl)-2-methyl-1-phenylpyrrole-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 5-(4-chlorophenyl)-2-methyl-1-phenylpyrrole-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 5-(4-chlorophenyl)-2-methyl-1-phenylpyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.