methyl 4-(1-(2-(dimethylamino)ethyl)-4-hydroxy-3-(4-((3-methylbenzyl)oxy)benzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
TL;DR: methyl 4-(1-(2-(dimethylamino)ethyl)-4-hydroxy-3-(4-((3-methylbenzyl)oxy)benzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 839699-64-8) is a chemical compound with molecular formula C31H32N2O6 and molecular weight 528.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3E)-1-[2-(dimethylamino)ethyl]-3-[hydroxy-[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate
Also Known As: methyl 4-(1-(2-(dimethylamino)ethyl)-4-hydroxy-3-(4-((3-methylbenzyl)oxy)benzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate, methyl 4-[(3E)-1-(2-dimethylaminoethyl)-3-[hydroxy-[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate, methyl 4-[(3E)-1-[2-(dimethylamino)ethyl]-3-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-4,5-dioxopyrrolidin-2-yl]benzoate
| Molecular Formula | C31H32N2O6 |
|---|---|
| Molecular Weight | 528.23 g/mol |
| LogP | 4.34392 |
| Topological Polar Surface Area | 96.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 528.226 |
| Heavy Atoms | 39 |
| Complexity | 1393.3364 |
Chemical Identifiers
| CAS Number | 839699-64-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)COC2=CC=C(C=C2)/C(=C\3/C(N(C(=O)C3=O)CCN(C)C)C4=CC=C(C=C4)C(=O)OC)/O |
Product Overview
methyl 4-(1-(2-(dimethylamino)ethyl)-4-hydroxy-3-(4-((3-methylbenzyl)oxy)benzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 839699-64-8), with molecular formula C31H32N2O6 and molecular weight 528.23 g/mol. IUPAC: methyl 4-[(3E)-1-[2-(dimethylamino)ethyl]-3-[hydroxy-[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate.
Chemical Property Profile of methyl 4-(1-(2-(dimethylamino)ethyl)-4-hydroxy-3-(4-((3-methylbenzyl)oxy)benzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
Property Insights of methyl 4-(1-(2-(dimethylamino)ethyl)-4-hydroxy-3-(4-((3-methylbenzyl)oxy)benzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
The XLogP value of 4.34392 indicates that methyl 4-(1-(2-(dimethylamino)ethyl)-4-hydroxy-3-(4-((3-methylbenzyl)oxy)benzoyl)-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-(dimethylamino)ethyl)-4-hydroxy-3-(4-((3-methylbenzyl)oxy)benzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(1-(2-(dimethylamino)ethyl)-4-hydroxy-3-(4-((3-methylbenzyl)oxy)benzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate has 1 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-(1-(2-(dimethylamino)ethyl)-4-hydroxy-3-(4-((3-methylbenzyl)oxy)benzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The CAS number of methyl 4-(1-(2-(dimethylamino)ethyl)-4-hydroxy-3-(4-((3-methylbenzyl)oxy)benzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 839699-64-8.
What is the molecular formula of methyl 4-(1-(2-(dimethylamino)ethyl)-4-hydroxy-3-(4-((3-methylbenzyl)oxy)benzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular formula of methyl 4-(1-(2-(dimethylamino)ethyl)-4-hydroxy-3-(4-((3-methylbenzyl)oxy)benzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is C31H32N2O6.
What is the molecular weight of methyl 4-(1-(2-(dimethylamino)ethyl)-4-hydroxy-3-(4-((3-methylbenzyl)oxy)benzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular weight of methyl 4-(1-(2-(dimethylamino)ethyl)-4-hydroxy-3-(4-((3-methylbenzyl)oxy)benzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 528.23 g/mol.
Where can I buy methyl 4-(1-(2-(dimethylamino)ethyl)-4-hydroxy-3-(4-((3-methylbenzyl)oxy)benzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
You can request a quote for methyl 4-(1-(2-(dimethylamino)ethyl)-4-hydroxy-3-(4-((3-methylbenzyl)oxy)benzoyl)-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-(dimethylamino)ethyl)-4-hydroxy-3-(4-((3-methylbenzyl)oxy)benzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(1-(2-(dimethylamino)ethyl)-4-hydroxy-3-(4-((3-methylbenzyl)oxy)benzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.