![methyl 4-({4-hydroxy-2-[4-(methylethyl)phenyl]-1-(3-morpholin-4-ylpropyl)-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate structure](/static/products/578/578744-91-9.png)
methyl 4-({4-hydroxy-2-[4-(methylethyl)phenyl]-1-(3-morpholin-4-ylpropyl)-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
TL;DR: methyl 4-({4-hydroxy-2-[4-(methylethyl)phenyl]-1-(3-morpholin-4-ylpropyl)-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate (CAS 578744-91-9) is a chemical compound with molecular formula C29H37N3O6 and molecular weight 523.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-(4-propan-2-ylphenyl)pyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: methyl 4-({4-hydroxy-2-[4-(methylethyl)phenyl]-1-(3-morpholin-4-ylpropyl)-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate, methyl 4-(4-hydroxy-2-(4-isopropylphenyl)-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-[(E)-hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-(4-propan-2-ylphenyl)pyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C29H37N3O6 |
|---|---|
| Molecular Weight | 523.27 g/mol |
| LogP | 3.68554 |
| Topological Polar Surface Area | 112.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 523.26825 |
| Heavy Atoms | 38 |
| Complexity | 1237.7499 |
Chemical Identifiers
| CAS Number | 578744-91-9 |
|---|---|
| SMILES | CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(C=C4)C(C)C)/O)C)C(=O)OC |
Product Overview
methyl 4-({4-hydroxy-2-[4-(methylethyl)phenyl]-1-(3-morpholin-4-ylpropyl)-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate (CAS 578744-91-9), with molecular formula C29H37N3O6 and molecular weight 523.27 g/mol. IUPAC: methyl 4-[(E)-hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-(4-propan-2-ylphenyl)pyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of methyl 4-({4-hydroxy-2-[4-(methylethyl)phenyl]-1-(3-morpholin-4-ylpropyl)-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
Property Insights of methyl 4-({4-hydroxy-2-[4-(methylethyl)phenyl]-1-(3-morpholin-4-ylpropyl)-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
The XLogP value of 3.68554 indicates that methyl 4-({4-hydroxy-2-[4-(methylethyl)phenyl]-1-(3-morpholin-4-ylpropyl)-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.17 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-({4-hydroxy-2-[4-(methylethyl)phenyl]-1-(3-morpholin-4-ylpropyl)-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate. Following Lipinski's Rule of Five, methyl 4-({4-hydroxy-2-[4-(methylethyl)phenyl]-1-(3-morpholin-4-ylpropyl)-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-({4-hydroxy-2-[4-(methylethyl)phenyl]-1-(3-morpholin-4-ylpropyl)-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The CAS number of methyl 4-({4-hydroxy-2-[4-(methylethyl)phenyl]-1-(3-morpholin-4-ylpropyl)-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is 578744-91-9.
What is the molecular formula of methyl 4-({4-hydroxy-2-[4-(methylethyl)phenyl]-1-(3-morpholin-4-ylpropyl)-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The molecular formula of methyl 4-({4-hydroxy-2-[4-(methylethyl)phenyl]-1-(3-morpholin-4-ylpropyl)-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is C29H37N3O6.
What is the molecular weight of methyl 4-({4-hydroxy-2-[4-(methylethyl)phenyl]-1-(3-morpholin-4-ylpropyl)-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The molecular weight of methyl 4-({4-hydroxy-2-[4-(methylethyl)phenyl]-1-(3-morpholin-4-ylpropyl)-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is 523.27 g/mol.
Where can I buy methyl 4-({4-hydroxy-2-[4-(methylethyl)phenyl]-1-(3-morpholin-4-ylpropyl)-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
You can request a quote for methyl 4-({4-hydroxy-2-[4-(methylethyl)phenyl]-1-(3-morpholin-4-ylpropyl)-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-({4-hydroxy-2-[4-(methylethyl)phenyl]-1-(3-morpholin-4-ylpropyl)-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({4-hydroxy-2-[4-(methylethyl)phenyl]-1-(3-morpholin-4-ylpropyl)-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.