![methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(5-methoxy-1H-indol-3-yl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate structure](/static/products/860/860648-98-2.png)
methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(5-methoxy-1H-indol-3-yl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate
TL;DR: methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(5-methoxy-1H-indol-3-yl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate (CAS 860648-98-2) is a chemical compound with molecular formula C27H28N2O6 and molecular weight 476.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-4-[(5-methoxyindol-3-ylidene)methyl]-2-methylpyrrole-3-carboxylate
Also Known As: methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(5-methoxy-1H-indol-3-yl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate
| Molecular Formula | C27H28N2O6 |
|---|---|
| Molecular Weight | 476.19 g/mol |
| LogP | 4.81372 |
| Topological Polar Surface Area | 91.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 476.19473 |
| Heavy Atoms | 35 |
| Complexity | 1335.9248 |
Chemical Identifiers
| CAS Number | 860648-98-2 |
|---|---|
| SMILES | CC1=C(C(=C(N1CCC2=CC(=C(C=C2)OC)OC)O)C=C3C=NC4=C3C=C(C=C4)OC)C(=O)OC |
Product Overview
methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(5-methoxy-1H-indol-3-yl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate (CAS 860648-98-2), with molecular formula C27H28N2O6 and molecular weight 476.19 g/mol. IUPAC: methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-4-[(5-methoxyindol-3-ylidene)methyl]-2-methylpyrrole-3-carboxylate.
Chemical Property Profile of methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(5-methoxy-1H-indol-3-yl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate
Property Insights of methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(5-methoxy-1H-indol-3-yl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate
The XLogP value of 4.81372 indicates that methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(5-methoxy-1H-indol-3-yl)methylidene]-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 91.51 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(5-methoxy-1H-indol-3-yl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate. Following Lipinski's Rule of Five, methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(5-methoxy-1H-indol-3-yl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate has 1 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 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(5-methoxy-1H-indol-3-yl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate?
The CAS number of methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(5-methoxy-1H-indol-3-yl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate is 860648-98-2.
What is the molecular formula of methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(5-methoxy-1H-indol-3-yl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate?
The molecular formula of methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(5-methoxy-1H-indol-3-yl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate is C27H28N2O6.
What is the molecular weight of methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(5-methoxy-1H-indol-3-yl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate?
The molecular weight of methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(5-methoxy-1H-indol-3-yl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate is 476.19 g/mol.
Where can I buy methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(5-methoxy-1H-indol-3-yl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate?
You can request a quote for methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(5-methoxy-1H-indol-3-yl)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-(3,4-dimethoxyphenethyl)-3-[(Z)-(5-methoxy-1H-indol-3-yl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(5-methoxy-1H-indol-3-yl)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.