![ethyl 4-({1-[3-(dimethylamino)propyl]-2-(2-furyl)-4-hydroxy-5-oxo(3-pyrrolin-3 -yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate structure](/static/products/845/845668-46-4.png)
ethyl 4-({1-[3-(dimethylamino)propyl]-2-(2-furyl)-4-hydroxy-5-oxo(3-pyrrolin-3 -yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
TL;DR: ethyl 4-({1-[3-(dimethylamino)propyl]-2-(2-furyl)-4-hydroxy-5-oxo(3-pyrrolin-3 -yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate (CAS 845668-46-4) is a chemical compound with molecular formula C23H29N3O6 and molecular weight 443.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(E)-[1-[3-(dimethylamino)propyl]-2-(furan-2-yl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: ethyl 4-({1-[3-(dimethylamino)propyl]-2-(2-furyl)-4-hydroxy-5-oxo(3-pyrrolin-3 -yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate, ethyl 4-(1-(3-(dimethylamino)propyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, ethyl 4-[(E)-[1-[3-(dimethylamino)propyl]-2-(furan-2-yl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate, ethyl 4-[(Z)-[1-[3-(dimethylamino)propyl]-2-(furan-2-yl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C23H29N3O6 |
|---|---|
| Molecular Weight | 443.21 g/mol |
| LogP | 2.77464 |
| Topological Polar Surface Area | 116.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.20563 |
| Heavy Atoms | 32 |
| Complexity | 1048.23 |
Chemical Identifiers
| CAS Number | 845668-46-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)C)/C(=C\2/C(N(C(=O)C2=O)CCCN(C)C)C3=CC=CO3)/O)C |
Product Overview
ethyl 4-({1-[3-(dimethylamino)propyl]-2-(2-furyl)-4-hydroxy-5-oxo(3-pyrrolin-3 -yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate (CAS 845668-46-4), with molecular formula C23H29N3O6 and molecular weight 443.21 g/mol. IUPAC: ethyl 4-[(E)-[1-[3-(dimethylamino)propyl]-2-(furan-2-yl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of ethyl 4-({1-[3-(dimethylamino)propyl]-2-(2-furyl)-4-hydroxy-5-oxo(3-pyrrolin-3 -yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
Property Insights of ethyl 4-({1-[3-(dimethylamino)propyl]-2-(2-furyl)-4-hydroxy-5-oxo(3-pyrrolin-3 -yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
The XLogP value of 2.77464 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-({1-[3-(dimethylamino)propyl]-2-(2-furyl)-4-hydroxy-5-oxo(3-pyrrolin-3 -yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate. The TPSA of 116.08 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-({1-[3-(dimethylamino)propyl]-2-(2-furyl)-4-hydroxy-5-oxo(3-pyrrolin-3 -yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 4-({1-[3-(dimethylamino)propyl]-2-(2-furyl)-4-hydroxy-5-oxo(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 ethyl 4-({1-[3-(dimethylamino)propyl]-2-(2-furyl)-4-hydroxy-5-oxo(3-pyrrolin-3 -yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The CAS number of ethyl 4-({1-[3-(dimethylamino)propyl]-2-(2-furyl)-4-hydroxy-5-oxo(3-pyrrolin-3 -yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is 845668-46-4.
What is the molecular formula of ethyl 4-({1-[3-(dimethylamino)propyl]-2-(2-furyl)-4-hydroxy-5-oxo(3-pyrrolin-3 -yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The molecular formula of ethyl 4-({1-[3-(dimethylamino)propyl]-2-(2-furyl)-4-hydroxy-5-oxo(3-pyrrolin-3 -yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is C23H29N3O6.
What is the molecular weight of ethyl 4-({1-[3-(dimethylamino)propyl]-2-(2-furyl)-4-hydroxy-5-oxo(3-pyrrolin-3 -yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The molecular weight of ethyl 4-({1-[3-(dimethylamino)propyl]-2-(2-furyl)-4-hydroxy-5-oxo(3-pyrrolin-3 -yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is 443.21 g/mol.
Where can I buy ethyl 4-({1-[3-(dimethylamino)propyl]-2-(2-furyl)-4-hydroxy-5-oxo(3-pyrrolin-3 -yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
You can request a quote for ethyl 4-({1-[3-(dimethylamino)propyl]-2-(2-furyl)-4-hydroxy-5-oxo(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 ethyl 4-({1-[3-(dimethylamino)propyl]-2-(2-furyl)-4-hydroxy-5-oxo(3-pyrrolin-3 -yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-({1-[3-(dimethylamino)propyl]-2-(2-furyl)-4-hydroxy-5-oxo(3-pyrrolin-3 -yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.