![methyl 4-({4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-1-(3-morpholin-4-ylpropyl)- 5-oxo(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate structure](/static/products/577/577986-91-5.png)
methyl 4-({4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-1-(3-morpholin-4-ylpropyl)- 5-oxo(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
TL;DR: methyl 4-({4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-1-(3-morpholin-4-ylpropyl)- 5-oxo(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate (CAS 577986-91-5) is a chemical compound with molecular formula C28H33N3O8 and molecular weight 539.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-hydroxy-[2-(4-methoxycarbonylphenyl)-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: methyl 4-({4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-1-(3-morpholin-4-ylpropyl)- 5-oxo(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate, methyl 4-(4-hydroxy-2-(4-(methoxycarbonyl)phenyl)-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-[(E)-hydroxy-[2-(4-methoxycarbonylphenyl)-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C28H33N3O8 |
|---|---|
| Molecular Weight | 539.23 g/mol |
| LogP | 2.34874 |
| Topological Polar Surface Area | 138.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 539.22675 |
| Heavy Atoms | 39 |
| Complexity | 1304.8057 |
Chemical Identifiers
| CAS Number | 577986-91-5 |
|---|---|
| SMILES | CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(C=C4)C(=O)OC)/O)C)C(=O)OC |
Product Overview
methyl 4-({4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-1-(3-morpholin-4-ylpropyl)- 5-oxo(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate (CAS 577986-91-5), with molecular formula C28H33N3O8 and molecular weight 539.23 g/mol. IUPAC: methyl 4-[(E)-hydroxy-[2-(4-methoxycarbonylphenyl)-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of methyl 4-({4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-1-(3-morpholin-4-ylpropyl)- 5-oxo(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
Property Insights of methyl 4-({4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-1-(3-morpholin-4-ylpropyl)- 5-oxo(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
The XLogP value of 2.34874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-({4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-1-(3-morpholin-4-ylpropyl)- 5-oxo(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate. The TPSA of 138.47 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-({4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-1-(3-morpholin-4-ylpropyl)- 5-oxo(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate. Following Lipinski's Rule of Five, methyl 4-({4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-1-(3-morpholin-4-ylpropyl)- 5-oxo(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate has 2 hydrogen bond donor(s) and 9 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-(methoxycarbonyl)phenyl]-1-(3-morpholin-4-ylpropyl)- 5-oxo(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The CAS number of methyl 4-({4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-1-(3-morpholin-4-ylpropyl)- 5-oxo(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is 577986-91-5.
What is the molecular formula of methyl 4-({4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-1-(3-morpholin-4-ylpropyl)- 5-oxo(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The molecular formula of methyl 4-({4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-1-(3-morpholin-4-ylpropyl)- 5-oxo(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is C28H33N3O8.
What is the molecular weight of methyl 4-({4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-1-(3-morpholin-4-ylpropyl)- 5-oxo(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The molecular weight of methyl 4-({4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-1-(3-morpholin-4-ylpropyl)- 5-oxo(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is 539.23 g/mol.
Where can I buy methyl 4-({4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-1-(3-morpholin-4-ylpropyl)- 5-oxo(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
You can request a quote for methyl 4-({4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-1-(3-morpholin-4-ylpropyl)- 5-oxo(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-(methoxycarbonyl)phenyl]-1-(3-morpholin-4-ylpropyl)- 5-oxo(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-1-(3-morpholin-4-ylpropyl)- 5-oxo(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.