![methyl 4-({1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(3-pyridyl)(3-pyrrolin -3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate structure](/static/products/797/797772-37-3.png)
methyl 4-({1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(3-pyridyl)(3-pyrrolin -3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
TL;DR: methyl 4-({1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(3-pyridyl)(3-pyrrolin -3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate (CAS 797772-37-3) is a chemical compound with molecular formula C25H32N4O5 and molecular weight 468.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[1-[3-(diethylamino)propyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: methyl 4-({1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(3-pyridyl)(3-pyrrolin -3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate, methyl 4-(1-(3-(diethylamino)propyl)-4-hydroxy-5-oxo-2-(pyridin-3-yl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-[(E)-[1-[3-(diethylamino)propyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-[(Z)-[1-[3-(diethylamino)propyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C25H32N4O5 |
|---|---|
| Molecular Weight | 468.24 g/mol |
| LogP | 2.96674 |
| Topological Polar Surface Area | 115.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 468.23727 |
| Heavy Atoms | 34 |
| Complexity | 1102.0093 |
Chemical Identifiers
| CAS Number | 797772-37-3 |
|---|---|
| SMILES | CCN(CC)CCCN1C(/C(=C(/C2=C(NC(=C2C)C(=O)OC)C)\O)/C(=O)C1=O)C3=CN=CC=C3 |
Product Overview
methyl 4-({1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(3-pyridyl)(3-pyrrolin -3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate (CAS 797772-37-3), with molecular formula C25H32N4O5 and molecular weight 468.24 g/mol. IUPAC: methyl 4-[(E)-[1-[3-(diethylamino)propyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of methyl 4-({1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(3-pyridyl)(3-pyrrolin -3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
Property Insights of methyl 4-({1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(3-pyridyl)(3-pyrrolin -3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
The XLogP value of 2.96674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-({1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(3-pyridyl)(3-pyrrolin -3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate. The TPSA of 115.83 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-({1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(3-pyridyl)(3-pyrrolin -3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate. Following Lipinski's Rule of Five, methyl 4-({1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(3-pyridyl)(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-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(3-pyridyl)(3-pyrrolin -3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The CAS number of methyl 4-({1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(3-pyridyl)(3-pyrrolin -3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is 797772-37-3.
What is the molecular formula of methyl 4-({1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(3-pyridyl)(3-pyrrolin -3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The molecular formula of methyl 4-({1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(3-pyridyl)(3-pyrrolin -3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is C25H32N4O5.
What is the molecular weight of methyl 4-({1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(3-pyridyl)(3-pyrrolin -3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The molecular weight of methyl 4-({1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(3-pyridyl)(3-pyrrolin -3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is 468.24 g/mol.
Where can I buy methyl 4-({1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(3-pyridyl)(3-pyrrolin -3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
You can request a quote for methyl 4-({1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(3-pyridyl)(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-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(3-pyridyl)(3-pyrrolin -3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(3-pyridyl)(3-pyrrolin -3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.