![methyl 4-({1-[2-(dimethylamino)ethyl]-2-(4-bromophenyl)-4-hydroxy-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate structure](/static/products/840/840517-77-3.png)
methyl 4-({1-[2-(dimethylamino)ethyl]-2-(4-bromophenyl)-4-hydroxy-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
TL;DR: methyl 4-({1-[2-(dimethylamino)ethyl]-2-(4-bromophenyl)-4-hydroxy-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate (CAS 840517-77-3) is a chemical compound with molecular formula C23H26BrN3O5 and molecular weight 503.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[2-(4-bromophenyl)-1-[2-(dimethylamino)ethyl]-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: methyl 4-({1-[2-(dimethylamino)ethyl]-2-(4-bromophenyl)-4-hydroxy-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate, methyl 4-(2-(4-bromophenyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-[(E)-[2-(4-bromophenyl)-1-(2-dimethylaminoethyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C23H26BrN3O5 |
|---|---|
| Molecular Weight | 503.11 g/mol |
| LogP | 3.16394 |
| Topological Polar Surface Area | 102.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 503.1056 |
| Heavy Atoms | 32 |
| Complexity | 1101.5803 |
Chemical Identifiers
| CAS Number | 840517-77-3 |
|---|---|
| SMILES | CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)Br)/O)C)C(=O)OC |
Product Overview
methyl 4-({1-[2-(dimethylamino)ethyl]-2-(4-bromophenyl)-4-hydroxy-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate (CAS 840517-77-3), with molecular formula C23H26BrN3O5 and molecular weight 503.11 g/mol. IUPAC: methyl 4-[(E)-[2-(4-bromophenyl)-1-[2-(dimethylamino)ethyl]-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of methyl 4-({1-[2-(dimethylamino)ethyl]-2-(4-bromophenyl)-4-hydroxy-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
Property Insights of methyl 4-({1-[2-(dimethylamino)ethyl]-2-(4-bromophenyl)-4-hydroxy-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
The XLogP value of 3.16394 indicates that methyl 4-({1-[2-(dimethylamino)ethyl]-2-(4-bromophenyl)-4-hydroxy-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.94 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-({1-[2-(dimethylamino)ethyl]-2-(4-bromophenyl)-4-hydroxy-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate. Following Lipinski's Rule of Five, methyl 4-({1-[2-(dimethylamino)ethyl]-2-(4-bromophenyl)-4-hydroxy-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate has 2 hydrogen bond donor(s) and 6 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]-2-(4-bromophenyl)-4-hydroxy-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The CAS number of methyl 4-({1-[2-(dimethylamino)ethyl]-2-(4-bromophenyl)-4-hydroxy-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is 840517-77-3.
What is the molecular formula of methyl 4-({1-[2-(dimethylamino)ethyl]-2-(4-bromophenyl)-4-hydroxy-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The molecular formula of methyl 4-({1-[2-(dimethylamino)ethyl]-2-(4-bromophenyl)-4-hydroxy-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is C23H26BrN3O5.
What is the molecular weight of methyl 4-({1-[2-(dimethylamino)ethyl]-2-(4-bromophenyl)-4-hydroxy-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The molecular weight of methyl 4-({1-[2-(dimethylamino)ethyl]-2-(4-bromophenyl)-4-hydroxy-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is 503.11 g/mol.
Where can I buy methyl 4-({1-[2-(dimethylamino)ethyl]-2-(4-bromophenyl)-4-hydroxy-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
You can request a quote for methyl 4-({1-[2-(dimethylamino)ethyl]-2-(4-bromophenyl)-4-hydroxy-5-oxo(3-pyrr olin-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-({1-[2-(dimethylamino)ethyl]-2-(4-bromophenyl)-4-hydroxy-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({1-[2-(dimethylamino)ethyl]-2-(4-bromophenyl)-4-hydroxy-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.