![methyl 1-allyl-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate structure](/static/products/6558/6558-95-8.webp)
methyl 1-allyl-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
TL;DR: methyl 1-allyl-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 6558-95-8) is a chemical compound with molecular formula C19H22N2O3 and molecular weight 326.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-methyl-5-oxo-1-prop-2-enylpyrrole-3-carboxylate
Also Known As: methyl 1-allyl-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4Z)-4-[(4-dimethylaminophenyl)methylidene]-2-methyl-5-oxo-1-prop-2-enylpyrrole-3-carboxylate
| Molecular Formula | C19H22N2O3 |
|---|---|
| Molecular Weight | 326.16 g/mol |
| LogP | 2.6112 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.16306 |
| Heavy Atoms | 24 |
| Complexity | 727.4837 |
Chemical Identifiers
| CAS Number | 6558-95-8 |
|---|---|
| SMILES | CC1=C(/C(=C/C2=CC=C(C=C2)N(C)C)/C(=O)N1CC=C)C(=O)OC |
Product Overview
methyl 1-allyl-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 6558-95-8), with molecular formula C19H22N2O3 and molecular weight 326.16 g/mol. IUPAC: methyl (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-methyl-5-oxo-1-prop-2-enylpyrrole-3-carboxylate.
Chemical Property Profile of methyl 1-allyl-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Property Insights of methyl 1-allyl-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
The XLogP value of 2.6112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-allyl-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate. With a topological polar surface area (TPSA) of 49.85 Ų, methyl 1-allyl-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 1-allyl-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-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 methyl 1-allyl-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The CAS number of methyl 1-allyl-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 6558-95-8.
What is the molecular formula of methyl 1-allyl-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular formula of methyl 1-allyl-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is C19H22N2O3.
What is the molecular weight of methyl 1-allyl-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular weight of methyl 1-allyl-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 326.16 g/mol.
Where can I buy methyl 1-allyl-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
You can request a quote for methyl 1-allyl-4-[4-(dimethylamino)benzylidene]-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 1-allyl-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-allyl-4-[4-(dimethylamino)benzylidene]-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.