3-hydroxy-5-(4-isopropylphenyl)-4-(4-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-1H-pyrrol-2(5H)-one
TL;DR: 3-hydroxy-5-(4-isopropylphenyl)-4-(4-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-1H-pyrrol-2(5H)-one (CAS 439947-91-8) is a chemical compound with molecular formula C27H26N2O4 and molecular weight 442.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
Also Known As: 3-hydroxy-5-(4-isopropylphenyl)-4-(4-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-1H-pyrrol-2(5H)-one, (4E)-4-[hydroxy(4-methoxyphenyl)methylidene]-5-[4-(propan-2-yl)phenyl]-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione, (4E)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione, 3-HYDROXY-4-(4-METHOXYBENZOYL)-5-[4-(PROPAN-2-YL)PHENYL]-1-[(PYRIDIN-4-YL)METHYL]-2,5-DIHYDRO-1H-PYRROL-2-ONE, 3-hydroxy-4-[(4-methoxyphenyl)carbonyl]-5-[4-(methylethyl)phenyl]-1-(4-pyridyl methyl)-3-pyrrolin-2-one
| Molecular Formula | C27H26N2O4 |
|---|---|
| Molecular Weight | 442.19 g/mol |
| LogP | 4.8355 |
| Topological Polar Surface Area | 79.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.18927 |
| Heavy Atoms | 33 |
| Complexity | 1183.0557 |
Chemical Identifiers
| CAS Number | 439947-91-8 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)OC)\O)/C(=O)C(=O)N2CC4=CC=NC=C4 |
Product Overview
3-hydroxy-5-(4-isopropylphenyl)-4-(4-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-1H-pyrrol-2(5H)-one (CAS 439947-91-8), with molecular formula C27H26N2O4 and molecular weight 442.19 g/mol. IUPAC: (4E)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 3-hydroxy-5-(4-isopropylphenyl)-4-(4-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-1H-pyrrol-2(5H)-one
Property Insights of 3-hydroxy-5-(4-isopropylphenyl)-4-(4-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-1H-pyrrol-2(5H)-one
The XLogP value of 4.8355 indicates that 3-hydroxy-5-(4-isopropylphenyl)-4-(4-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-hydroxy-5-(4-isopropylphenyl)-4-(4-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 3-hydroxy-5-(4-isopropylphenyl)-4-(4-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 5 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 3-hydroxy-5-(4-isopropylphenyl)-4-(4-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-1H-pyrrol-2(5H)-one?
The CAS number of 3-hydroxy-5-(4-isopropylphenyl)-4-(4-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-1H-pyrrol-2(5H)-one is 439947-91-8.
What is the molecular formula of 3-hydroxy-5-(4-isopropylphenyl)-4-(4-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 3-hydroxy-5-(4-isopropylphenyl)-4-(4-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-1H-pyrrol-2(5H)-one is C27H26N2O4.
What is the molecular weight of 3-hydroxy-5-(4-isopropylphenyl)-4-(4-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 3-hydroxy-5-(4-isopropylphenyl)-4-(4-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-1H-pyrrol-2(5H)-one is 442.19 g/mol.
Where can I buy 3-hydroxy-5-(4-isopropylphenyl)-4-(4-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 3-hydroxy-5-(4-isopropylphenyl)-4-(4-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-1H-pyrrol-2(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-hydroxy-5-(4-isopropylphenyl)-4-(4-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxy-5-(4-isopropylphenyl)-4-(4-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.