ethyl 4-(2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
TL;DR: ethyl 4-(2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 845801-74-3) is a chemical compound with molecular formula C28H29N3O6 and molecular weight 503.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(E)-[2-(4-ethoxyphenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: ethyl 4-(2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, ethyl 4-[(E)-[2-(4-ethoxyphenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C28H29N3O6 |
|---|---|
| Molecular Weight | 503.21 g/mol |
| LogP | 4.22384 |
| Topological Polar Surface Area | 121.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 503.20563 |
| Heavy Atoms | 37 |
| Complexity | 1358.5593 |
Chemical Identifiers
| CAS Number | 845801-74-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2/C(=C(/C3=C(NC(=C3C)C(=O)OCC)C)\O)/C(=O)C(=O)N2CC4=CN=CC=C4 |
Product Overview
ethyl 4-(2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 845801-74-3), with molecular formula C28H29N3O6 and molecular weight 503.21 g/mol. IUPAC: ethyl 4-[(E)-[2-(4-ethoxyphenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of ethyl 4-(2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Property Insights of ethyl 4-(2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
The XLogP value of 4.22384 indicates that ethyl 4-(2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate has 2 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 ethyl 4-(2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The CAS number of ethyl 4-(2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is 845801-74-3.
What is the molecular formula of ethyl 4-(2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular formula of ethyl 4-(2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is C28H29N3O6.
What is the molecular weight of ethyl 4-(2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular weight of ethyl 4-(2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is 503.21 g/mol.
Where can I buy ethyl 4-(2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
You can request a quote for ethyl 4-(2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.