![methyl 4-[(4-cyanoanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate structure](/static/products/4778/477865-63-7.webp)
methyl 4-[(4-cyanoanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
TL;DR: methyl 4-[(4-cyanoanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 477865-63-7) is a chemical compound with molecular formula C15H13N3O3 and molecular weight 283.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(4-cyanophenyl)iminomethyl]-5-hydroxy-2-methyl-1H-pyrrole-3-carboxylate
Also Known As: methyl 4-[(4-cyanoanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4Z)-4-{[(4-cyanophenyl)amino]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4E)-4-[(4-cyanoanilino)methylidene]-2-methyl-5-oxo-1H-pyrrole-3-carboxylate, methyl (4Z)-4-[(4-cyanoanilino)methylene]-2-methyl-5-oxo-1H-pyrrole-3-carboxylate, methyl (4Z)-4-[(4-cyanoanilino)methylidene]-2-methyl-5-oxo-1H-pyrrole-3-carboxylate
| Molecular Formula | C15H13N3O3 |
|---|---|
| Molecular Weight | 283.10 g/mol |
| LogP | 2.4376 |
| Topological Polar Surface Area | 98.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.0957 |
| Heavy Atoms | 21 |
| Complexity | 736.7597 |
Chemical Identifiers
| CAS Number | 477865-63-7 |
|---|---|
| SMILES | CC1=C(C(=C(N1)O)C=NC2=CC=C(C=C2)C#N)C(=O)OC |
Product Overview
methyl 4-[(4-cyanoanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 477865-63-7), with molecular formula C15H13N3O3 and molecular weight 283.10 g/mol. IUPAC: methyl 4-[(4-cyanophenyl)iminomethyl]-5-hydroxy-2-methyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of methyl 4-[(4-cyanoanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Property Insights of methyl 4-[(4-cyanoanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
The XLogP value of 2.4376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[(4-cyanoanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate. The TPSA of 98.47 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[(4-cyanoanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, methyl 4-[(4-cyanoanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-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 methyl 4-[(4-cyanoanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The CAS number of methyl 4-[(4-cyanoanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 477865-63-7.
What is the molecular formula of methyl 4-[(4-cyanoanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular formula of methyl 4-[(4-cyanoanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is C15H13N3O3.
What is the molecular weight of methyl 4-[(4-cyanoanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular weight of methyl 4-[(4-cyanoanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 283.10 g/mol.
Where can I buy methyl 4-[(4-cyanoanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
You can request a quote for methyl 4-[(4-cyanoanilino)methylene]-2-methyl-5-oxo-4,5-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 methyl 4-[(4-cyanoanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(4-cyanoanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.