methyl 4-(3-(3-fluoro-4-isopropoxybenzoyl)-4-hydroxy-1-(2-morpholinoethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
TL;DR: methyl 4-(3-(3-fluoro-4-isopropoxybenzoyl)-4-hydroxy-1-(2-morpholinoethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 902009-60-3) is a chemical compound with molecular formula C28H31FN2O7 and molecular weight 526.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3E)-3-[(3-fluoro-4-propan-2-yloxyphenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-2-yl]benzoate
Also Known As: methyl 4-(3-(3-fluoro-4-isopropoxybenzoyl)-4-hydroxy-1-(2-morpholinoethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate, methyl 4-(3-{[3-fluoro-4-(methylethoxy)phenyl]carbonyl}-4-hydroxy-1-(2-morphol in-4-ylethyl)-5-oxo-3-pyrrolin-2-yl)benzoate, methyl 4-[(3E)-3-[(3-fluoro-4-propan-2-yloxyphenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-2-yl]benzoate
| Molecular Formula | C28H31FN2O7 |
|---|---|
| Molecular Weight | 526.21 g/mol |
| LogP | 3.1534 |
| Topological Polar Surface Area | 105.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 526.21155 |
| Heavy Atoms | 38 |
| Complexity | 1236.2633 |
Chemical Identifiers
| CAS Number | 902009-60-3 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=C(C=C4)C(=O)OC)/O)F |
Product Overview
methyl 4-(3-(3-fluoro-4-isopropoxybenzoyl)-4-hydroxy-1-(2-morpholinoethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 902009-60-3), with molecular formula C28H31FN2O7 and molecular weight 526.21 g/mol. IUPAC: methyl 4-[(3E)-3-[(3-fluoro-4-propan-2-yloxyphenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-2-yl]benzoate.
Chemical Property Profile of methyl 4-(3-(3-fluoro-4-isopropoxybenzoyl)-4-hydroxy-1-(2-morpholinoethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
Property Insights of methyl 4-(3-(3-fluoro-4-isopropoxybenzoyl)-4-hydroxy-1-(2-morpholinoethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
The XLogP value of 3.1534 indicates that methyl 4-(3-(3-fluoro-4-isopropoxybenzoyl)-4-hydroxy-1-(2-morpholinoethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.61 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(3-(3-fluoro-4-isopropoxybenzoyl)-4-hydroxy-1-(2-morpholinoethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(3-(3-fluoro-4-isopropoxybenzoyl)-4-hydroxy-1-(2-morpholinoethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate has 1 hydrogen bond donor(s) and 8 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-(3-(3-fluoro-4-isopropoxybenzoyl)-4-hydroxy-1-(2-morpholinoethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The CAS number of methyl 4-(3-(3-fluoro-4-isopropoxybenzoyl)-4-hydroxy-1-(2-morpholinoethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 902009-60-3.
What is the molecular formula of methyl 4-(3-(3-fluoro-4-isopropoxybenzoyl)-4-hydroxy-1-(2-morpholinoethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular formula of methyl 4-(3-(3-fluoro-4-isopropoxybenzoyl)-4-hydroxy-1-(2-morpholinoethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is C28H31FN2O7.
What is the molecular weight of methyl 4-(3-(3-fluoro-4-isopropoxybenzoyl)-4-hydroxy-1-(2-morpholinoethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular weight of methyl 4-(3-(3-fluoro-4-isopropoxybenzoyl)-4-hydroxy-1-(2-morpholinoethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 526.21 g/mol.
Where can I buy methyl 4-(3-(3-fluoro-4-isopropoxybenzoyl)-4-hydroxy-1-(2-morpholinoethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
You can request a quote for methyl 4-(3-(3-fluoro-4-isopropoxybenzoyl)-4-hydroxy-1-(2-morpholinoethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(3-(3-fluoro-4-isopropoxybenzoyl)-4-hydroxy-1-(2-morpholinoethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(3-(3-fluoro-4-isopropoxybenzoyl)-4-hydroxy-1-(2-morpholinoethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.