4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-1H-pyrrol-2(5H)-one
TL;DR: 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-1H-pyrrol-2(5H)-one (CAS 489406-10-2) is a chemical compound with molecular formula C28H27NO6 and molecular weight 473.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-(4-hydroxyphenyl)-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Also Known As: 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-1H-pyrrol-2(5H)-one, (4E)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-(4-hydroxyphenyl)-1-(2-methoxyethyl)pyrrolidine-2,3-dione, (4E)-4-{[4-(benzyloxy)-2-methylphenyl](hydroxy)methylidene}-5-(4-hydroxyphenyl)-1-(2-methoxyethyl)pyrrolidine-2,3-dione
| Molecular Formula | C28H27NO6 |
|---|---|
| Molecular Weight | 473.18 g/mol |
| LogP | 4.34772 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 473.18384 |
| Heavy Atoms | 35 |
| Complexity | 1250.199 |
Chemical Identifiers
| CAS Number | 489406-10-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CCOC)C4=CC=C(C=C4)O)/O |
Product Overview
4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-1H-pyrrol-2(5H)-one (CAS 489406-10-2), with molecular formula C28H27NO6 and molecular weight 473.18 g/mol. IUPAC: (4E)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-(4-hydroxyphenyl)-1-(2-methoxyethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-1H-pyrrol-2(5H)-one
Property Insights of 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-1H-pyrrol-2(5H)-one
The XLogP value of 4.34772 indicates that 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-1H-pyrrol-2(5H)-one has 2 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-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-1H-pyrrol-2(5H)-one?
The CAS number of 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-1H-pyrrol-2(5H)-one is 489406-10-2.
What is the molecular formula of 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-1H-pyrrol-2(5H)-one is C28H27NO6.
What is the molecular weight of 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-1H-pyrrol-2(5H)-one is 473.18 g/mol.
Where can I buy 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-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)-3-hydroxy-5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.