4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one
TL;DR: 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one (CAS 488731-98-2) is a chemical compound with molecular formula C31H33NO7 and molecular weight 531.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(3-ethoxy-4-hydroxyphenyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Also Known As: 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one, 4-[4-(benzyloxy)-2-methylbenzoyl]-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-4-{[4-(benzyloxy)-2-methylphenyl](hydroxy)methylidene}-5-(3-ethoxy-4-hydroxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione, (4E)-5-(3-ethoxy-4-hydroxyphenyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione, 4-(4-(BENZYLOXY)-2-METHYLBENZOYL)-5-(3-ETHOXY-4-HYDROXYPHENYL)-3-HYDROXY-1-(3-METHOXYPROPYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
| Molecular Formula | C31H33NO7 |
|---|---|
| Molecular Weight | 531.23 g/mol |
| LogP | 5.13652 |
| Topological Polar Surface Area | 105.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 531.2257 |
| Heavy Atoms | 39 |
| Complexity | 1366.6053 |
Chemical Identifiers
| CAS Number | 488731-98-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2/C(=C(/C3=C(C=C(C=C3)OCC4=CC=CC=C4)C)\O)/C(=O)C(=O)N2CCCOC)O |
Product Overview
4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one (CAS 488731-98-2), with molecular formula C31H33NO7 and molecular weight 531.23 g/mol. IUPAC: (4E)-5-(3-ethoxy-4-hydroxyphenyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one
Property Insights of 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one
The XLogP value of 5.13652 indicates that 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-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-(Benzyloxy)-2-methylbenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one has 2 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 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one?
The CAS number of 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one is 488731-98-2.
What is the molecular formula of 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one is C31H33NO7.
What is the molecular weight of 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one is 531.23 g/mol.
Where can I buy 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-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-(Benzyloxy)-2-methylbenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.