![methyl 4-({1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(2-thienyl)(3-pyrrolin -3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate structure](/static/products/846/846589-13-7.png)
methyl 4-({1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(2-thienyl)(3-pyrrolin -3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
TL;DR: methyl 4-({1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(2-thienyl)(3-pyrrolin -3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate (CAS 846589-13-7) is a chemical compound with molecular formula C24H31N3O5S and molecular weight 473.20 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-thiophen-2-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-(2-thienyl)(3-pyrrolin -3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate, methyl 4-(1-(3-(diethylamino)propyl)-4-hydroxy-5-oxo-2-(thiophen-2-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-thiophen-2-ylpyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-[(Z)-[1-[3-(diethylamino)propyl]-4,5-dioxo-2-thiophen-2-ylpyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C24H31N3O5S |
|---|---|
| Molecular Weight | 473.20 g/mol |
| LogP | 3.63324 |
| Topological Polar Surface Area | 102.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 473.19846 |
| Heavy Atoms | 33 |
| Complexity | 1066.2936 |
Chemical Identifiers
| CAS Number | 846589-13-7 |
|---|---|
| SMILES | CCN(CC)CCCN1C(/C(=C(/C2=C(NC(=C2C)C(=O)OC)C)\O)/C(=O)C1=O)C3=CC=CS3 |
Product Overview
methyl 4-({1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(2-thienyl)(3-pyrrolin -3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate (CAS 846589-13-7), with molecular formula C24H31N3O5S and molecular weight 473.20 g/mol. IUPAC: methyl 4-[(E)-[1-[3-(diethylamino)propyl]-4,5-dioxo-2-thiophen-2-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-(2-thienyl)(3-pyrrolin -3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
Property Insights of methyl 4-({1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(2-thienyl)(3-pyrrolin -3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
The XLogP value of 3.63324 indicates that methyl 4-({1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(2-thienyl)(3-pyrrolin -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-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(2-thienyl)(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-(2-thienyl)(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-(2-thienyl)(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-(2-thienyl)(3-pyrrolin -3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is 846589-13-7.
What is the molecular formula of methyl 4-({1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(2-thienyl)(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-(2-thienyl)(3-pyrrolin -3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is C24H31N3O5S.
What is the molecular weight of methyl 4-({1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(2-thienyl)(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-(2-thienyl)(3-pyrrolin -3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is 473.20 g/mol.
Where can I buy methyl 4-({1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2-(2-thienyl)(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-(2-thienyl)(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-(2-thienyl)(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-(2-thienyl)(3-pyrrolin -3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.