4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3,4-dimethoxyphenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one
TL;DR: 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3,4-dimethoxyphenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one (CAS 488095-48-3) is a chemical compound with molecular formula C31H34N2O6 and molecular weight 530.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]pyrrolidine-2,3-dione
Also Known As: 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3,4-dimethoxyphenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one, 4-{[4-(benzyloxy)-2-methylphenyl]carbonyl}-5-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one, (4E)-5-(3,4-dimethoxyphenyl)-1-(2-dimethylaminoethyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]pyrrolidine-2,3-dione, 4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-5-(3,4-DIMETHOXYPHENYL)-1-[2-(DIMETHYLAMINO)ETHYL]-3-HYDROXY-1,5-DIHYDRO-2H-PYRROL-2-ONE
| Molecular Formula | C31H34N2O6 |
|---|---|
| Molecular Weight | 530.24 g/mol |
| LogP | 4.57452 |
| Topological Polar Surface Area | 88.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 530.2417 |
| Heavy Atoms | 39 |
| Complexity | 1383.0814 |
Chemical Identifiers
| CAS Number | 488095-48-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CCN(C)C)C4=CC(=C(C=C4)OC)OC)/O |
Product Overview
4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3,4-dimethoxyphenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one (CAS 488095-48-3), with molecular formula C31H34N2O6 and molecular weight 530.24 g/mol. IUPAC: (4E)-5-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3,4-dimethoxyphenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one
Property Insights of 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3,4-dimethoxyphenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one
The XLogP value of 4.57452 indicates that 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3,4-dimethoxyphenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3,4-dimethoxyphenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3,4-dimethoxyphenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one has 1 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-(3,4-dimethoxyphenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The CAS number of 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3,4-dimethoxyphenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one is 488095-48-3.
What is the molecular formula of 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3,4-dimethoxyphenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The molecular formula of 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3,4-dimethoxyphenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one is C31H34N2O6.
What is the molecular weight of 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3,4-dimethoxyphenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The molecular weight of 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3,4-dimethoxyphenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one is 530.24 g/mol.
Where can I buy 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3,4-dimethoxyphenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
You can request a quote for 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3,4-dimethoxyphenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-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-(3,4-dimethoxyphenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3,4-dimethoxyphenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.