methyl 4-(3-(3-chloro-4-ethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
TL;DR: methyl 4-(3-(3-chloro-4-ethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 636988-80-2) is a chemical compound with molecular formula C25H27ClN2O6 and molecular weight 486.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3E)-3-[(3-chloro-4-ethoxyphenyl)-hydroxymethylidene]-1-[2-(dimethylamino)ethyl]-4,5-dioxopyrrolidin-2-yl]benzoate
Also Known As: methyl 4-(3-(3-chloro-4-ethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate, methyl 4-[(3E)-3-[(3-chloro-4-ethoxyphenyl)-hydroxymethylidene]-1-(2-dimethylaminoethyl)-4,5-dioxopyrrolidin-2-yl]benzoate, methyl 4-{1-[2-(dimethylamino)ethyl]-3-[(3-chloro-4-ethoxyphenyl)carbonyl]-4-h ydroxy-5-oxo-3-pyrrolin-2-yl}benzoate, methyl 4-{3-(3-chloro-4-ethoxybenzoyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
| Molecular Formula | C25H27ClN2O6 |
|---|---|
| Molecular Weight | 486.16 g/mol |
| LogP | 3.5086 |
| Topological Polar Surface Area | 96.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 486.15576 |
| Heavy Atoms | 34 |
| Complexity | 1126.7258 |
Chemical Identifiers
| CAS Number | 636988-80-2 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)C(=O)OC)/O)Cl |
Product Overview
methyl 4-(3-(3-chloro-4-ethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 636988-80-2), with molecular formula C25H27ClN2O6 and molecular weight 486.16 g/mol. IUPAC: methyl 4-[(3E)-3-[(3-chloro-4-ethoxyphenyl)-hydroxymethylidene]-1-[2-(dimethylamino)ethyl]-4,5-dioxopyrrolidin-2-yl]benzoate.
Chemical Property Profile of methyl 4-(3-(3-chloro-4-ethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
Property Insights of methyl 4-(3-(3-chloro-4-ethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
The XLogP value of 3.5086 indicates that methyl 4-(3-(3-chloro-4-ethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-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-(3-(3-chloro-4-ethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(3-(3-chloro-4-ethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-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-(3-(3-chloro-4-ethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The CAS number of methyl 4-(3-(3-chloro-4-ethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 636988-80-2.
What is the molecular formula of methyl 4-(3-(3-chloro-4-ethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular formula of methyl 4-(3-(3-chloro-4-ethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is C25H27ClN2O6.
What is the molecular weight of methyl 4-(3-(3-chloro-4-ethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular weight of methyl 4-(3-(3-chloro-4-ethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 486.16 g/mol.
Where can I buy methyl 4-(3-(3-chloro-4-ethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
You can request a quote for methyl 4-(3-(3-chloro-4-ethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-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-chloro-4-ethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(3-(3-chloro-4-ethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.