methyl 4-(1-(2-(dimethylamino)ethyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
TL;DR: methyl 4-(1-(2-(dimethylamino)ethyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 844646-66-8) is a chemical compound with molecular formula C21H25N3O6 and molecular weight 415.17 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]-2-(furan-2-yl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: methyl 4-(1-(2-(dimethylamino)ethyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-[(E)-[1-(2-dimethylaminoethyl)-2-(furan-2-yl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C21H25N3O6 |
|---|---|
| Molecular Weight | 415.17 g/mol |
| LogP | 1.99444 |
| Topological Polar Surface Area | 116.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.17435 |
| Heavy Atoms | 30 |
| Complexity | 1015.9518 |
Chemical Identifiers
| CAS Number | 844646-66-8 |
|---|---|
| SMILES | CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CCN(C)C)C3=CC=CO3)/O)C)C(=O)OC |
Product Overview
methyl 4-(1-(2-(dimethylamino)ethyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 844646-66-8), with molecular formula C21H25N3O6 and molecular weight 415.17 g/mol. IUPAC: methyl 4-[(E)-[1-[2-(dimethylamino)ethyl]-2-(furan-2-yl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of methyl 4-(1-(2-(dimethylamino)ethyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Property Insights of methyl 4-(1-(2-(dimethylamino)ethyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
The XLogP value of 1.99444 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(1-(2-(dimethylamino)ethyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate. The TPSA of 116.08 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(1-(2-(dimethylamino)ethyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, methyl 4-(1-(2-(dimethylamino)ethyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-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), 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)-2-(furan-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The CAS number of methyl 4-(1-(2-(dimethylamino)ethyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is 844646-66-8.
What is the molecular formula of methyl 4-(1-(2-(dimethylamino)ethyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular formula of methyl 4-(1-(2-(dimethylamino)ethyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is C21H25N3O6.
What is the molecular weight of methyl 4-(1-(2-(dimethylamino)ethyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular weight of methyl 4-(1-(2-(dimethylamino)ethyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is 415.17 g/mol.
Where can I buy methyl 4-(1-(2-(dimethylamino)ethyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
You can request a quote for methyl 4-(1-(2-(dimethylamino)ethyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-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 methyl 4-(1-(2-(dimethylamino)ethyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(1-(2-(dimethylamino)ethyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-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.