4-benzoyl-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one
TL;DR: 4-benzoyl-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one (CAS 613220-53-4) is a chemical compound with molecular formula C27H26N2O5 and molecular weight 458.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy(phenyl)methylidene]-5-(3-methoxy-4-propoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Also Known As: 4-benzoyl-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one, (4E)-4-[hydroxy(phenyl)methylidene]-5-(3-methoxy-4-propoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione, 3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-4-(phenylcarbonyl)-1-(3-pyridylmethyl) -3-pyrrolin-2-one
| Molecular Formula | C27H26N2O5 |
|---|---|
| Molecular Weight | 458.18 g/mol |
| LogP | 4.5009 |
| Topological Polar Surface Area | 88.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.18417 |
| Heavy Atoms | 34 |
| Complexity | 1208.2048 |
Chemical Identifiers
| CAS Number | 613220-53-4 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC=CC=C3)\O)/C(=O)C(=O)N2CC4=CN=CC=C4)OC |
Product Overview
4-benzoyl-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one (CAS 613220-53-4), with molecular formula C27H26N2O5 and molecular weight 458.18 g/mol. IUPAC: (4E)-4-[hydroxy(phenyl)methylidene]-5-(3-methoxy-4-propoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 4-benzoyl-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one
Property Insights of 4-benzoyl-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one
The XLogP value of 4.5009 indicates that 4-benzoyl-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-benzoyl-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 4-benzoyl-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 6 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 4-benzoyl-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one?
The CAS number of 4-benzoyl-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one is 613220-53-4.
What is the molecular formula of 4-benzoyl-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 4-benzoyl-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one is C27H26N2O5.
What is the molecular weight of 4-benzoyl-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 4-benzoyl-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one is 458.18 g/mol.
Where can I buy 4-benzoyl-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 4-benzoyl-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1-(pyridin-3-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 4-benzoyl-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-benzoyl-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.