methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-isonicotinoyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
TL;DR: methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-isonicotinoyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 627482-45-5) is a chemical compound with molecular formula C23H25N3O5 and molecular weight 423.18 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(pyridin-4-yl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate
Also Known As: methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-isonicotinoyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate, methyl 4-[(3E)-1-[3-(dimethylamino)propyl]-3-[hydroxy(pyridin-4-yl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate
| Molecular Formula | C23H25N3O5 |
|---|---|
| Molecular Weight | 423.18 g/mol |
| LogP | 2.2416 |
| Topological Polar Surface Area | 100.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.1794 |
| Heavy Atoms | 31 |
| Complexity | 999.63184 |
Chemical Identifiers
| CAS Number | 627482-45-5 |
|---|---|
| SMILES | CN(C)CCCN1C(/C(=C(/C2=CC=NC=C2)\O)/C(=O)C1=O)C3=CC=C(C=C3)C(=O)OC |
Product Overview
methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-isonicotinoyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 627482-45-5), with molecular formula C23H25N3O5 and molecular weight 423.18 g/mol. IUPAC: methyl 4-[(3E)-1-[3-(dimethylamino)propyl]-3-[hydroxy(pyridin-4-yl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate.
Chemical Property Profile of methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-isonicotinoyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
Property Insights of methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-isonicotinoyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
The XLogP value of 2.2416 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-isonicotinoyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate. The TPSA of 100.04 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-isonicotinoyl-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-isonicotinoyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate has 1 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-(dimethylamino)propyl)-4-hydroxy-3-isonicotinoyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The CAS number of methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-isonicotinoyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 627482-45-5.
What is the molecular formula of methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-isonicotinoyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular formula of methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-isonicotinoyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is C23H25N3O5.
What is the molecular weight of methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-isonicotinoyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular weight of methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-isonicotinoyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 423.18 g/mol.
Where can I buy methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-isonicotinoyl-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-isonicotinoyl-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-isonicotinoyl-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-isonicotinoyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.