![methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate structure](/static/products/371/371213-49-9.png)
methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
TL;DR: methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 371213-49-9) is a chemical compound with molecular formula C26H30N2O5 and molecular weight 450.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[[4-(dimethylamino)phenyl]methylidene]-2-methyl-5-oxopyrrole-3-carboxylate
Also Known As: methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, (Z)-methyl 1-(3,4-dimethoxyphenethyl)-4-(4-(dimethylamino)benzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-dimethylaminophenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate, METHYL (4Z)-1-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-4-{[4-(DIMETHYLAMINO)PHENYL]METHYLIDENE}-2-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLATE
| Molecular Formula | C26H30N2O5 |
|---|---|
| Molecular Weight | 450.22 g/mol |
| LogP | 3.6851 |
| Topological Polar Surface Area | 68.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 450.21548 |
| Heavy Atoms | 33 |
| Complexity | 1100.1654 |
Chemical Identifiers
| CAS Number | 371213-49-9 |
|---|---|
| SMILES | CC1=C(/C(=C/C2=CC=C(C=C2)N(C)C)/C(=O)N1CCC3=CC(=C(C=C3)OC)OC)C(=O)OC |
Product Overview
methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 371213-49-9), with molecular formula C26H30N2O5 and molecular weight 450.22 g/mol. IUPAC: methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[[4-(dimethylamino)phenyl]methylidene]-2-methyl-5-oxopyrrole-3-carboxylate.
Chemical Property Profile of methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Property Insights of methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
The XLogP value of 3.6851 indicates that methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.31 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate has 0 hydrogen bond donor(s) and 6 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 (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The CAS number of methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 371213-49-9.
What is the molecular formula of methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular formula of methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is C26H30N2O5.
What is the molecular weight of methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular weight of methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 450.22 g/mol.
Where can I buy methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
You can request a quote for methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-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 (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(dimethylamino)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-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.