![methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2-(4-prop-2-enyloxypheny l)(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate structure](/static/products/623/623124-70-9.png)
methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2-(4-prop-2-enyloxypheny l)(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
TL;DR: methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2-(4-prop-2-enyloxypheny l)(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate (CAS 623124-70-9) is a chemical compound with molecular formula C26H31N3O6 and molecular weight 481.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[1-[2-(dimethylamino)ethyl]-4,5-dioxo-2-(4-prop-2-enoxyphenyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2-(4-prop-2-enyloxypheny l)(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate, methyl 4-(2-(4-(allyloxy)phenyl)-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)-[1-(2-dimethylaminoethyl)-4,5-dioxo-2-(4-prop-2-enoxyphenyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-[(Z)-[1-(2-dimethylaminoethyl)-4,5-dioxo-2-(4-prop-2-enoxyphenyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C26H31N3O6 |
|---|---|
| Molecular Weight | 481.22 g/mol |
| LogP | 2.96624 |
| Topological Polar Surface Area | 112.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 481.22128 |
| Heavy Atoms | 35 |
| Complexity | 1176.4392 |
Chemical Identifiers
| CAS Number | 623124-70-9 |
|---|---|
| SMILES | CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)OCC=C)/O)C)C(=O)OC |
Product Overview
methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2-(4-prop-2-enyloxypheny l)(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate (CAS 623124-70-9), with molecular formula C26H31N3O6 and molecular weight 481.22 g/mol. IUPAC: methyl 4-[(E)-[1-[2-(dimethylamino)ethyl]-4,5-dioxo-2-(4-prop-2-enoxyphenyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2-(4-prop-2-enyloxypheny l)(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
Property Insights of methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2-(4-prop-2-enyloxypheny l)(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
The XLogP value of 2.96624 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2-(4-prop-2-enyloxypheny l)(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate. The TPSA of 112.17 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2-(4-prop-2-enyloxypheny l)(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate. Following Lipinski's Rule of Five, methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2-(4-prop-2-enyloxypheny l)(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate has 2 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-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2-(4-prop-2-enyloxypheny l)(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The CAS number of methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2-(4-prop-2-enyloxypheny l)(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is 623124-70-9.
What is the molecular formula of methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2-(4-prop-2-enyloxypheny l)(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The molecular formula of methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2-(4-prop-2-enyloxypheny l)(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is C26H31N3O6.
What is the molecular weight of methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2-(4-prop-2-enyloxypheny l)(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The molecular weight of methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2-(4-prop-2-enyloxypheny l)(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is 481.22 g/mol.
Where can I buy methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2-(4-prop-2-enyloxypheny l)(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
You can request a quote for methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2-(4-prop-2-enyloxypheny l)(3-pyrrolin-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]-4-hydroxy-5-oxo-2-(4-prop-2-enyloxypheny l)(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2-(4-prop-2-enyloxypheny l)(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.