ethyl 4-(4-carbamoylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
TL;DR: ethyl 4-(4-carbamoylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate (CAS 448191-97-7) is a chemical compound with molecular formula C21H21N3O4 and molecular weight 379.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-carbamoylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
Also Known As: ethyl 4-(4-carbamoylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate, ethyl 4-((4-carbamoylphenyl)amino)-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate, ethyl 4-[(4-carbamoylphenyl)amino]-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate
| Molecular Formula | C21H21N3O4 |
|---|---|
| Molecular Weight | 379.15 g/mol |
| LogP | 2.4499 |
| Topological Polar Surface Area | 101.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.1532 |
| Heavy Atoms | 28 |
| Complexity | 937.8829 |
Chemical Identifiers
| CAS Number | 448191-97-7 |
|---|---|
| SMILES | CCOC(=O)C1(C=C(C(=O)N1C2=CC=CC=C2)NC3=CC=C(C=C3)C(=O)N)C |
Product Overview
ethyl 4-(4-carbamoylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate (CAS 448191-97-7), with molecular formula C21H21N3O4 and molecular weight 379.15 g/mol. IUPAC: ethyl 4-(4-carbamoylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate.
Chemical Property Profile of ethyl 4-(4-carbamoylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
Property Insights of ethyl 4-(4-carbamoylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
The XLogP value of 2.4499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(4-carbamoylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate. The TPSA of 101.73 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(4-carbamoylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(4-carbamoylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate has 2 hydrogen bond donor(s) and 5 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 4-(4-carbamoylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate?
The CAS number of ethyl 4-(4-carbamoylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate is 448191-97-7.
What is the molecular formula of ethyl 4-(4-carbamoylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate?
The molecular formula of ethyl 4-(4-carbamoylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate is C21H21N3O4.
What is the molecular weight of ethyl 4-(4-carbamoylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate?
The molecular weight of ethyl 4-(4-carbamoylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate is 379.15 g/mol.
Where can I buy ethyl 4-(4-carbamoylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate?
You can request a quote for ethyl 4-(4-carbamoylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(4-carbamoylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(4-carbamoylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.