![methyl 3-[(Z)-1,3-benzodioxol-5-ylmethylidene]-1-(3,4-dimethoxyphenethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate structure](/static/products/3597/359727-54-1.webp)
methyl 3-[(Z)-1,3-benzodioxol-5-ylmethylidene]-1-(3,4-dimethoxyphenethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate
TL;DR: methyl 3-[(Z)-1,3-benzodioxol-5-ylmethylidene]-1-(3,4-dimethoxyphenethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate (CAS 359727-54-1) is a chemical compound with molecular formula C25H25NO7 and molecular weight 451.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(1,3-benzodioxol-5-ylmethylidene)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrole-3-carboxylate
Also Known As: methyl 3-[(Z)-1,3-benzodioxol-5-ylmethylidene]-1-(3,4-dimethoxyphenethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate, methyl 4-(1,3-benzodioxol-5-ylmethylidene)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrole-3-carboxylate
| Molecular Formula | C25H25NO7 |
|---|---|
| Molecular Weight | 451.16 g/mol |
| LogP | 3.3478 |
| Topological Polar Surface Area | 83.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.16312 |
| Heavy Atoms | 33 |
| Complexity | 1165.3406 |
Chemical Identifiers
| CAS Number | 359727-54-1 |
|---|---|
| SMILES | CC1=C(C(=CC2=CC3=C(C=C2)OCO3)C(=O)N1CCC4=CC(=C(C=C4)OC)OC)C(=O)OC |
Product Overview
methyl 3-[(Z)-1,3-benzodioxol-5-ylmethylidene]-1-(3,4-dimethoxyphenethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate (CAS 359727-54-1), with molecular formula C25H25NO7 and molecular weight 451.16 g/mol. IUPAC: methyl 4-(1,3-benzodioxol-5-ylmethylidene)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrole-3-carboxylate.
Chemical Property Profile of methyl 3-[(Z)-1,3-benzodioxol-5-ylmethylidene]-1-(3,4-dimethoxyphenethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate
Property Insights of methyl 3-[(Z)-1,3-benzodioxol-5-ylmethylidene]-1-(3,4-dimethoxyphenethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate
The XLogP value of 3.3478 indicates that methyl 3-[(Z)-1,3-benzodioxol-5-ylmethylidene]-1-(3,4-dimethoxyphenethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.53 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-[(Z)-1,3-benzodioxol-5-ylmethylidene]-1-(3,4-dimethoxyphenethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate. Following Lipinski's Rule of Five, methyl 3-[(Z)-1,3-benzodioxol-5-ylmethylidene]-1-(3,4-dimethoxyphenethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate has 0 hydrogen bond donor(s) and 7 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 3-[(Z)-1,3-benzodioxol-5-ylmethylidene]-1-(3,4-dimethoxyphenethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate?
The CAS number of methyl 3-[(Z)-1,3-benzodioxol-5-ylmethylidene]-1-(3,4-dimethoxyphenethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate is 359727-54-1.
What is the molecular formula of methyl 3-[(Z)-1,3-benzodioxol-5-ylmethylidene]-1-(3,4-dimethoxyphenethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate?
The molecular formula of methyl 3-[(Z)-1,3-benzodioxol-5-ylmethylidene]-1-(3,4-dimethoxyphenethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate is C25H25NO7.
What is the molecular weight of methyl 3-[(Z)-1,3-benzodioxol-5-ylmethylidene]-1-(3,4-dimethoxyphenethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate?
The molecular weight of methyl 3-[(Z)-1,3-benzodioxol-5-ylmethylidene]-1-(3,4-dimethoxyphenethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate is 451.16 g/mol.
Where can I buy methyl 3-[(Z)-1,3-benzodioxol-5-ylmethylidene]-1-(3,4-dimethoxyphenethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate?
You can request a quote for methyl 3-[(Z)-1,3-benzodioxol-5-ylmethylidene]-1-(3,4-dimethoxyphenethyl)-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 3-[(Z)-1,3-benzodioxol-5-ylmethylidene]-1-(3,4-dimethoxyphenethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[(Z)-1,3-benzodioxol-5-ylmethylidene]-1-(3,4-dimethoxyphenethyl)-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.