methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
TL;DR: methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 955862-23-4) is a chemical compound with molecular formula C28H30N4O5 and molecular weight 502.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3E)-1-[3-(dimethylamino)propyl]-3-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate
Also Known As: methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate, methyl 4-[(3E)-1-[3-(dimethylamino)propyl]-3-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate
| Molecular Formula | C28H30N4O5 |
|---|---|
| Molecular Weight | 502.22 g/mol |
| LogP | 3.34072 |
| Topological Polar Surface Area | 104.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 502.22162 |
| Heavy Atoms | 37 |
| Complexity | 1342.6519 |
Chemical Identifiers
| CAS Number | 955862-23-4 |
|---|---|
| SMILES | CC1=C(C=NN1C2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CCCN(C)C)C4=CC=C(C=C4)C(=O)OC)/O |
Product Overview
methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 955862-23-4), with molecular formula C28H30N4O5 and molecular weight 502.22 g/mol. IUPAC: methyl 4-[(3E)-1-[3-(dimethylamino)propyl]-3-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate.
Chemical Property Profile of methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
Property Insights of methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
The XLogP value of 3.34072 indicates that methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.97 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate has 1 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 methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The CAS number of methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 955862-23-4.
What is the molecular formula of methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular formula of methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is C28H30N4O5.
What is the molecular weight of methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular weight of methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 502.22 g/mol.
Where can I buy methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
You can request a quote for methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate 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-(dimethylamino)propyl)-4-hydroxy-3-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.