![methyl 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(dimethylamino)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate structure](/static/products/4778/477871-91-3.webp)
methyl 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(dimethylamino)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate
TL;DR: methyl 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(dimethylamino)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate (CAS 477871-91-3) is a chemical compound with molecular formula C18H20N2O5 and molecular weight 344.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylaminomethylidene)-2-methyl-5-oxopyrrole-3-carboxylate
Also Known As: methyl 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(dimethylamino)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate, methyl 1-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylaminomethylidene)-2-methyl-5-oxopyrrole-3-carboxylate, methyl (4Z)-1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(dimethylamino)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(dimethylamino)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxy, Methyl 1-(1,3-benzodioxol-5-ylmethyl)-4-[(dimethylamino)methylene]-4,5-dihydro-2-methyl-5-oxo-1H-pyrrole-3-carboxylate
| Molecular Formula | C18H20N2O5 |
|---|---|
| Molecular Weight | 344.14 g/mol |
| LogP | 1.65 |
| Topological Polar Surface Area | 68.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.1372 |
| Heavy Atoms | 25 |
| Complexity | 794.6562 |
Chemical Identifiers
| CAS Number | 477871-91-3 |
|---|---|
| SMILES | CC1=C(C(=CN(C)C)C(=O)N1CC2=CC3=C(C=C2)OCO3)C(=O)OC |
Product Overview
methyl 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(dimethylamino)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate (CAS 477871-91-3), with molecular formula C18H20N2O5 and molecular weight 344.14 g/mol. IUPAC: methyl 1-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylaminomethylidene)-2-methyl-5-oxopyrrole-3-carboxylate.
Chemical Property Profile of methyl 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(dimethylamino)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate
Property Insights of methyl 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(dimethylamino)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate
The XLogP value of 1.65 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(dimethylamino)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate. The TPSA of 68.31 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(dimethylamino)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate. Following Lipinski's Rule of Five, methyl 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(dimethylamino)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-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 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(dimethylamino)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate?
The CAS number of methyl 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(dimethylamino)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate is 477871-91-3.
What is the molecular formula of methyl 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(dimethylamino)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate?
The molecular formula of methyl 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(dimethylamino)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate is C18H20N2O5.
What is the molecular weight of methyl 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(dimethylamino)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate?
The molecular weight of methyl 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(dimethylamino)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate is 344.14 g/mol.
Where can I buy methyl 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(dimethylamino)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate?
You can request a quote for methyl 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(dimethylamino)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-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-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(dimethylamino)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(dimethylamino)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.