(Z)-methyl 4-(4-(allyloxy)-3-methoxybenzylidene)-1-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
TL;DR: (Z)-methyl 4-(4-(allyloxy)-3-methoxybenzylidene)-1-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 446048-29-9) is a chemical compound with molecular formula C26H27NO7 and molecular weight 465.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4Z)-1-(3,4-dimethoxyphenyl)-4-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate
Also Known As: (Z)-methyl 4-(4-(allyloxy)-3-methoxybenzylidene)-1-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4Z)-1-(3,4-dimethoxyphenyl)-4-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate, methyl (4Z)-1-(3,4-dimethoxyphenyl)-4-[3-methoxy-4-(prop-2-en-1-yloxy)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, METHYL (4Z)-1-(3,4-DIMETHOXYPHENYL)-4-{[3-METHOXY-4-(PROP-2-EN-1-YLOXY)PHENYL]METHYLIDENE}-2-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLATE
| Molecular Formula | C26H27NO7 |
|---|---|
| Molecular Weight | 465.18 g/mol |
| LogP | 4.1544 |
| Topological Polar Surface Area | 83.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 465.17874 |
| Heavy Atoms | 34 |
| Complexity | 1179.6667 |
Chemical Identifiers
| CAS Number | 446048-29-9 |
|---|---|
| SMILES | CC1=C(/C(=C/C2=CC(=C(C=C2)OCC=C)OC)/C(=O)N1C3=CC(=C(C=C3)OC)OC)C(=O)OC |
Product Overview
(Z)-methyl 4-(4-(allyloxy)-3-methoxybenzylidene)-1-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 446048-29-9), with molecular formula C26H27NO7 and molecular weight 465.18 g/mol. IUPAC: methyl (4Z)-1-(3,4-dimethoxyphenyl)-4-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate.
Chemical Property Profile of (Z)-methyl 4-(4-(allyloxy)-3-methoxybenzylidene)-1-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Property Insights of (Z)-methyl 4-(4-(allyloxy)-3-methoxybenzylidene)-1-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
The XLogP value of 4.1544 indicates that (Z)-methyl 4-(4-(allyloxy)-3-methoxybenzylidene)-1-(3,4-dimethoxyphenyl)-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 83.53 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 4-(4-(allyloxy)-3-methoxybenzylidene)-1-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, (Z)-methyl 4-(4-(allyloxy)-3-methoxybenzylidene)-1-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-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 (Z)-methyl 4-(4-(allyloxy)-3-methoxybenzylidene)-1-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The CAS number of (Z)-methyl 4-(4-(allyloxy)-3-methoxybenzylidene)-1-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 446048-29-9.
What is the molecular formula of (Z)-methyl 4-(4-(allyloxy)-3-methoxybenzylidene)-1-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular formula of (Z)-methyl 4-(4-(allyloxy)-3-methoxybenzylidene)-1-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is C26H27NO7.
What is the molecular weight of (Z)-methyl 4-(4-(allyloxy)-3-methoxybenzylidene)-1-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular weight of (Z)-methyl 4-(4-(allyloxy)-3-methoxybenzylidene)-1-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 465.18 g/mol.
Where can I buy (Z)-methyl 4-(4-(allyloxy)-3-methoxybenzylidene)-1-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
You can request a quote for (Z)-methyl 4-(4-(allyloxy)-3-methoxybenzylidene)-1-(3,4-dimethoxyphenyl)-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 (Z)-methyl 4-(4-(allyloxy)-3-methoxybenzylidene)-1-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 4-(4-(allyloxy)-3-methoxybenzylidene)-1-(3,4-dimethoxyphenyl)-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.