![methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(4-heptylphenyl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate structure](/static/products/6918/691858-17-0.webp)
methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(4-heptylphenyl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate
TL;DR: methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(4-heptylphenyl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate (CAS 691858-17-0) is a chemical compound with molecular formula C31H39NO5 and molecular weight 505.28 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]-4-[(4-heptylphenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate
Also Known As: methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(4-heptylphenyl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate, methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-heptylphenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate
| Molecular Formula | C31H39NO5 |
|---|---|
| Molecular Weight | 505.28 g/mol |
| LogP | 6.132 |
| Topological Polar Surface Area | 65.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 505.28284 |
| Heavy Atoms | 37 |
| Complexity | 1146.6884 |
Chemical Identifiers
| CAS Number | 691858-17-0 |
|---|---|
| SMILES | CCCCCCCC1=CC=C(C=C1)C=C2C(=C(N(C2=O)CCC3=CC(=C(C=C3)OC)OC)C)C(=O)OC |
Product Overview
methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(4-heptylphenyl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate (CAS 691858-17-0), with molecular formula C31H39NO5 and molecular weight 505.28 g/mol. IUPAC: methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-heptylphenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate.
Chemical Property Profile of methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(4-heptylphenyl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate
Property Insights of methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(4-heptylphenyl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate
The XLogP value of 6.132 indicates that methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(4-heptylphenyl)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 65.07 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(4-heptylphenyl)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)-(4-heptylphenyl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(4-heptylphenyl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate?
The CAS number of methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(4-heptylphenyl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate is 691858-17-0.
What is the molecular formula of methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(4-heptylphenyl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate?
The molecular formula of methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(4-heptylphenyl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate is C31H39NO5.
What is the molecular weight of methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(4-heptylphenyl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate?
The molecular weight of methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(4-heptylphenyl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate is 505.28 g/mol.
Where can I buy methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(4-heptylphenyl)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)-(4-heptylphenyl)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)-(4-heptylphenyl)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)-(4-heptylphenyl)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.