methyl (4Z)-2-methyl-1-(4-methylbenzyl)-5-oxo-4-(3,4,5-trimethoxybenzylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate
TL;DR: methyl (4Z)-2-methyl-1-(4-methylbenzyl)-5-oxo-4-(3,4,5-trimethoxybenzylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 1164555-68-3) is a chemical compound with molecular formula C25H27NO6 and molecular weight 437.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4Z)-2-methyl-1-[(4-methylphenyl)methyl]-5-oxo-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrrole-3-carboxylate
Also Known As: methyl (4Z)-2-methyl-1-(4-methylbenzyl)-5-oxo-4-(3,4,5-trimethoxybenzylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate, METHYL (4Z)-2-METHYL-1-[(4-METHYLPHENYL)METHYL]-5-OXO-4-[(3,4,5-TRIMETHOXYPHENYL)METHYLIDENE]-4,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLATE, methyl (4Z)-2-methyl-1-[(4-methylphenyl)methyl]-5-oxo-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrrole-3-carboxylate, Methyl (4Z)-4,5-dihydro-2-methyl-1-[(4-methylphenyl)methyl]-5-oxo-4-[(3,4,5-trimethoxyphenyl)methylene]-1H-pyrrole-3-carboxylate
| Molecular Formula | C25H27NO6 |
|---|---|
| Molecular Weight | 437.18 g/mol |
| LogP | 3.89362 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 437.18384 |
| Heavy Atoms | 32 |
| Complexity | 1072.9104 |
Chemical Identifiers
| CAS Number | 1164555-68-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C(=C(/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/C2=O)C(=O)OC)C |
Product Overview
methyl (4Z)-2-methyl-1-(4-methylbenzyl)-5-oxo-4-(3,4,5-trimethoxybenzylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 1164555-68-3), with molecular formula C25H27NO6 and molecular weight 437.18 g/mol. IUPAC: methyl (4Z)-2-methyl-1-[(4-methylphenyl)methyl]-5-oxo-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrrole-3-carboxylate.
Chemical Property Profile of methyl (4Z)-2-methyl-1-(4-methylbenzyl)-5-oxo-4-(3,4,5-trimethoxybenzylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate
Property Insights of methyl (4Z)-2-methyl-1-(4-methylbenzyl)-5-oxo-4-(3,4,5-trimethoxybenzylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate
The XLogP value of 3.89362 indicates that methyl (4Z)-2-methyl-1-(4-methylbenzyl)-5-oxo-4-(3,4,5-trimethoxybenzylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (4Z)-2-methyl-1-(4-methylbenzyl)-5-oxo-4-(3,4,5-trimethoxybenzylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, methyl (4Z)-2-methyl-1-(4-methylbenzyl)-5-oxo-4-(3,4,5-trimethoxybenzylidene)-4,5-dihydro-1H-pyrrole-3-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 (4Z)-2-methyl-1-(4-methylbenzyl)-5-oxo-4-(3,4,5-trimethoxybenzylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate?
The CAS number of methyl (4Z)-2-methyl-1-(4-methylbenzyl)-5-oxo-4-(3,4,5-trimethoxybenzylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate is 1164555-68-3.
What is the molecular formula of methyl (4Z)-2-methyl-1-(4-methylbenzyl)-5-oxo-4-(3,4,5-trimethoxybenzylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular formula of methyl (4Z)-2-methyl-1-(4-methylbenzyl)-5-oxo-4-(3,4,5-trimethoxybenzylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate is C25H27NO6.
What is the molecular weight of methyl (4Z)-2-methyl-1-(4-methylbenzyl)-5-oxo-4-(3,4,5-trimethoxybenzylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular weight of methyl (4Z)-2-methyl-1-(4-methylbenzyl)-5-oxo-4-(3,4,5-trimethoxybenzylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate is 437.18 g/mol.
Where can I buy methyl (4Z)-2-methyl-1-(4-methylbenzyl)-5-oxo-4-(3,4,5-trimethoxybenzylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate?
You can request a quote for methyl (4Z)-2-methyl-1-(4-methylbenzyl)-5-oxo-4-(3,4,5-trimethoxybenzylidene)-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 methyl (4Z)-2-methyl-1-(4-methylbenzyl)-5-oxo-4-(3,4,5-trimethoxybenzylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (4Z)-2-methyl-1-(4-methylbenzyl)-5-oxo-4-(3,4,5-trimethoxybenzylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.