4-(4-(Allyloxy)benzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one
TL;DR: 4-(4-(Allyloxy)benzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one (CAS 618077-22-8) is a chemical compound with molecular formula C25H27NO7 and molecular weight 453.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Also Known As: 4-(4-(Allyloxy)benzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one, (4E)-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione, (4E)-5-(4-hydroxy-3-methoxyphenyl)-4-{hydroxy[4-(prop-2-en-1-yloxy)phenyl]methylidene}-1-(3-methoxypropyl)pyrrolidine-2,3-dione, 3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)-4-{[4-(prop-2-en-1-yloxy)phenyl]carbonyl}-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C25H27NO7 |
|---|---|
| Molecular Weight | 453.18 g/mol |
| LogP | 3.4238 |
| Topological Polar Surface Area | 105.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 453.17874 |
| Heavy Atoms | 33 |
| Complexity | 1058.9252 |
Chemical Identifiers
| CAS Number | 618077-22-8 |
|---|---|
| SMILES | COCCCN1C(/C(=C(/C2=CC=C(C=C2)OCC=C)\O)/C(=O)C1=O)C3=CC(=C(C=C3)O)OC |
Product Overview
4-(4-(Allyloxy)benzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one (CAS 618077-22-8), with molecular formula C25H27NO7 and molecular weight 453.18 g/mol. IUPAC: (4E)-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 4-(4-(Allyloxy)benzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one
Property Insights of 4-(4-(Allyloxy)benzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one
The XLogP value of 3.4238 indicates that 4-(4-(Allyloxy)benzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-(Allyloxy)benzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 4-(4-(Allyloxy)benzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one 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 4-(4-(Allyloxy)benzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one?
The CAS number of 4-(4-(Allyloxy)benzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one is 618077-22-8.
What is the molecular formula of 4-(4-(Allyloxy)benzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 4-(4-(Allyloxy)benzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one is C25H27NO7.
What is the molecular weight of 4-(4-(Allyloxy)benzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 4-(4-(Allyloxy)benzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one is 453.18 g/mol.
Where can I buy 4-(4-(Allyloxy)benzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 4-(4-(Allyloxy)benzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)-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-(4-(Allyloxy)benzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(Allyloxy)benzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.