(Z)-methyl 1-(2-(cyclohex-1-en-1-yl)ethyl)-4-(3-ethoxy-4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
TL;DR: (Z)-methyl 1-(2-(cyclohex-1-en-1-yl)ethyl)-4-(3-ethoxy-4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 449774-09-8) is a chemical compound with molecular formula C24H29NO5 and molecular weight 411.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4Z)-1-[2-(cyclohexen-1-yl)ethyl]-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate
Also Known As: (Z)-methyl 1-(2-(cyclohex-1-en-1-yl)ethyl)-4-(3-ethoxy-4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-4-(3-ethoxy-4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, METHYL (4Z)-1-[2-(CYCLOHEX-1-EN-1-YL)ETHYL]-4-[(3-ETHOXY-4-HYDROXYPHENYL)METHYLIDENE]-2-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLATE, methyl (4Z)-1-[2-(cyclohexen-1-yl)ethyl]-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate
| Molecular Formula | C24H29NO5 |
|---|---|
| Molecular Weight | 411.20 g/mol |
| LogP | 4.354 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.20456 |
| Heavy Atoms | 30 |
| Complexity | 925.52405 |
Chemical Identifiers
| CAS Number | 449774-09-8 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=C(N(C2=O)CCC3=CCCCC3)C)C(=O)OC)O |
Product Overview
(Z)-methyl 1-(2-(cyclohex-1-en-1-yl)ethyl)-4-(3-ethoxy-4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 449774-09-8), with molecular formula C24H29NO5 and molecular weight 411.20 g/mol. IUPAC: methyl (4Z)-1-[2-(cyclohexen-1-yl)ethyl]-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate.
Chemical Property Profile of (Z)-methyl 1-(2-(cyclohex-1-en-1-yl)ethyl)-4-(3-ethoxy-4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Property Insights of (Z)-methyl 1-(2-(cyclohex-1-en-1-yl)ethyl)-4-(3-ethoxy-4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
The XLogP value of 4.354 indicates that (Z)-methyl 1-(2-(cyclohex-1-en-1-yl)ethyl)-4-(3-ethoxy-4-hydroxybenzylidene)-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 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 1-(2-(cyclohex-1-en-1-yl)ethyl)-4-(3-ethoxy-4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, (Z)-methyl 1-(2-(cyclohex-1-en-1-yl)ethyl)-4-(3-ethoxy-4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate has 1 hydrogen bond donor(s) and 5 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 1-(2-(cyclohex-1-en-1-yl)ethyl)-4-(3-ethoxy-4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The CAS number of (Z)-methyl 1-(2-(cyclohex-1-en-1-yl)ethyl)-4-(3-ethoxy-4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 449774-09-8.
What is the molecular formula of (Z)-methyl 1-(2-(cyclohex-1-en-1-yl)ethyl)-4-(3-ethoxy-4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular formula of (Z)-methyl 1-(2-(cyclohex-1-en-1-yl)ethyl)-4-(3-ethoxy-4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is C24H29NO5.
What is the molecular weight of (Z)-methyl 1-(2-(cyclohex-1-en-1-yl)ethyl)-4-(3-ethoxy-4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular weight of (Z)-methyl 1-(2-(cyclohex-1-en-1-yl)ethyl)-4-(3-ethoxy-4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 411.20 g/mol.
Where can I buy (Z)-methyl 1-(2-(cyclohex-1-en-1-yl)ethyl)-4-(3-ethoxy-4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
You can request a quote for (Z)-methyl 1-(2-(cyclohex-1-en-1-yl)ethyl)-4-(3-ethoxy-4-hydroxybenzylidene)-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 1-(2-(cyclohex-1-en-1-yl)ethyl)-4-(3-ethoxy-4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 1-(2-(cyclohex-1-en-1-yl)ethyl)-4-(3-ethoxy-4-hydroxybenzylidene)-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.