methyl 4-(1-(2-(diethylamino)ethyl)-4-hydroxy-3-(4-isopropoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
TL;DR: methyl 4-(1-(2-(diethylamino)ethyl)-4-hydroxy-3-(4-isopropoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 384366-17-0) is a chemical compound with molecular formula C28H34N2O6 and molecular weight 494.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3E)-1-[2-(diethylamino)ethyl]-3-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate
Also Known As: methyl 4-(1-(2-(diethylamino)ethyl)-4-hydroxy-3-(4-isopropoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate, methyl 4-(1-[2-(diethylamino)ethyl]-4-hydroxy-3-{[4-(methylethoxy)phenyl]carbo nyl}-5-oxo-3-pyrrolin-2-yl)benzoate, methyl 4-(1-[2-(diethylamino)ethyl]-4-hydroxy-5-oxo-3-{[4-(propan-2-yloxy)phenyl]carbonyl}-2,5-dihydro-1H-pyrrol-2-yl)benzoate, methyl 4-[(3E)-1-(2-diethylaminoethyl)-3-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate, methyl 4-[(3E)-1-[2-(diethylamino)ethyl]-3-{hydroxy[4-(propan-2-yloxy)phenyl]methylidene}-4,5-dioxopyrrolidin-2-yl]benzoate
| Molecular Formula | C28H34N2O6 |
|---|---|
| Molecular Weight | 494.24 g/mol |
| LogP | 4.0239 |
| Topological Polar Surface Area | 96.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 494.2417 |
| Heavy Atoms | 36 |
| Complexity | 1117.7339 |
Chemical Identifiers
| CAS Number | 384366-17-0 |
|---|---|
| SMILES | CCN(CC)CCN1C(/C(=C(/C2=CC=C(C=C2)OC(C)C)\O)/C(=O)C1=O)C3=CC=C(C=C3)C(=O)OC |
Product Overview
methyl 4-(1-(2-(diethylamino)ethyl)-4-hydroxy-3-(4-isopropoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 384366-17-0), with molecular formula C28H34N2O6 and molecular weight 494.24 g/mol. IUPAC: methyl 4-[(3E)-1-[2-(diethylamino)ethyl]-3-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate.
Chemical Property Profile of methyl 4-(1-(2-(diethylamino)ethyl)-4-hydroxy-3-(4-isopropoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
Property Insights of methyl 4-(1-(2-(diethylamino)ethyl)-4-hydroxy-3-(4-isopropoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
The XLogP value of 4.0239 indicates that methyl 4-(1-(2-(diethylamino)ethyl)-4-hydroxy-3-(4-isopropoxybenzoyl)-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 96.38 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(1-(2-(diethylamino)ethyl)-4-hydroxy-3-(4-isopropoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(1-(2-(diethylamino)ethyl)-4-hydroxy-3-(4-isopropoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate has 1 hydrogen bond donor(s) and 7 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 4-(1-(2-(diethylamino)ethyl)-4-hydroxy-3-(4-isopropoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The CAS number of methyl 4-(1-(2-(diethylamino)ethyl)-4-hydroxy-3-(4-isopropoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 384366-17-0.
What is the molecular formula of methyl 4-(1-(2-(diethylamino)ethyl)-4-hydroxy-3-(4-isopropoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular formula of methyl 4-(1-(2-(diethylamino)ethyl)-4-hydroxy-3-(4-isopropoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is C28H34N2O6.
What is the molecular weight of methyl 4-(1-(2-(diethylamino)ethyl)-4-hydroxy-3-(4-isopropoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular weight of methyl 4-(1-(2-(diethylamino)ethyl)-4-hydroxy-3-(4-isopropoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 494.24 g/mol.
Where can I buy methyl 4-(1-(2-(diethylamino)ethyl)-4-hydroxy-3-(4-isopropoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
You can request a quote for methyl 4-(1-(2-(diethylamino)ethyl)-4-hydroxy-3-(4-isopropoxybenzoyl)-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-(1-(2-(diethylamino)ethyl)-4-hydroxy-3-(4-isopropoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(1-(2-(diethylamino)ethyl)-4-hydroxy-3-(4-isopropoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.