4-[(4-Ethoxyphenyl)hydroxymethylene]-1-[3-(1H-imidazol-1-yl)propyl]-5-[4-(2-propen-1-yloxy)phenyl]-2,3-pyrrolidinedione
TL;DR: 4-[(4-Ethoxyphenyl)hydroxymethylene]-1-[3-(1H-imidazol-1-yl)propyl]-5-[4-(2-propen-1-yloxy)phenyl]-2,3-pyrrolidinedione (CAS 1104244-17-8) is a chemical compound with molecular formula C28H29N3O5 and molecular weight 487.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-(4-prop-2-enoxyphenyl)pyrrolidine-2,3-dione
Also Known As: 4-[(4-Ethoxyphenyl)hydroxymethylene]-1-[3-(1H-imidazol-1-yl)propyl]-5-[4-(2-propen-1-yloxy)phenyl]-2,3-pyrrolidinedione, 4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-(4-prop-2-enoxyphenyl)pyrrolidine-2,3-dione
| Molecular Formula | C28H29N3O5 |
|---|---|
| Molecular Weight | 487.21 g/mol |
| LogP | 4.3586 |
| Topological Polar Surface Area | 93.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 487.21072 |
| Heavy Atoms | 36 |
| Complexity | 1231.2042 |
Chemical Identifiers
| CAS Number | 1104244-17-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)OCC=C)O |
Product Overview
4-[(4-Ethoxyphenyl)hydroxymethylene]-1-[3-(1H-imidazol-1-yl)propyl]-5-[4-(2-propen-1-yloxy)phenyl]-2,3-pyrrolidinedione (CAS 1104244-17-8), with molecular formula C28H29N3O5 and molecular weight 487.21 g/mol. IUPAC: 4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-(4-prop-2-enoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 4-[(4-Ethoxyphenyl)hydroxymethylene]-1-[3-(1H-imidazol-1-yl)propyl]-5-[4-(2-propen-1-yloxy)phenyl]-2,3-pyrrolidinedione
Property Insights of 4-[(4-Ethoxyphenyl)hydroxymethylene]-1-[3-(1H-imidazol-1-yl)propyl]-5-[4-(2-propen-1-yloxy)phenyl]-2,3-pyrrolidinedione
The XLogP value of 4.3586 indicates that 4-[(4-Ethoxyphenyl)hydroxymethylene]-1-[3-(1H-imidazol-1-yl)propyl]-5-[4-(2-propen-1-yloxy)phenyl]-2,3-pyrrolidinedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Ethoxyphenyl)hydroxymethylene]-1-[3-(1H-imidazol-1-yl)propyl]-5-[4-(2-propen-1-yloxy)phenyl]-2,3-pyrrolidinedione. Following Lipinski's Rule of Five, 4-[(4-Ethoxyphenyl)hydroxymethylene]-1-[3-(1H-imidazol-1-yl)propyl]-5-[4-(2-propen-1-yloxy)phenyl]-2,3-pyrrolidinedione 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-[(4-Ethoxyphenyl)hydroxymethylene]-1-[3-(1H-imidazol-1-yl)propyl]-5-[4-(2-propen-1-yloxy)phenyl]-2,3-pyrrolidinedione?
The CAS number of 4-[(4-Ethoxyphenyl)hydroxymethylene]-1-[3-(1H-imidazol-1-yl)propyl]-5-[4-(2-propen-1-yloxy)phenyl]-2,3-pyrrolidinedione is 1104244-17-8.
What is the molecular formula of 4-[(4-Ethoxyphenyl)hydroxymethylene]-1-[3-(1H-imidazol-1-yl)propyl]-5-[4-(2-propen-1-yloxy)phenyl]-2,3-pyrrolidinedione?
The molecular formula of 4-[(4-Ethoxyphenyl)hydroxymethylene]-1-[3-(1H-imidazol-1-yl)propyl]-5-[4-(2-propen-1-yloxy)phenyl]-2,3-pyrrolidinedione is C28H29N3O5.
What is the molecular weight of 4-[(4-Ethoxyphenyl)hydroxymethylene]-1-[3-(1H-imidazol-1-yl)propyl]-5-[4-(2-propen-1-yloxy)phenyl]-2,3-pyrrolidinedione?
The molecular weight of 4-[(4-Ethoxyphenyl)hydroxymethylene]-1-[3-(1H-imidazol-1-yl)propyl]-5-[4-(2-propen-1-yloxy)phenyl]-2,3-pyrrolidinedione is 487.21 g/mol.
Where can I buy 4-[(4-Ethoxyphenyl)hydroxymethylene]-1-[3-(1H-imidazol-1-yl)propyl]-5-[4-(2-propen-1-yloxy)phenyl]-2,3-pyrrolidinedione?
You can request a quote for 4-[(4-Ethoxyphenyl)hydroxymethylene]-1-[3-(1H-imidazol-1-yl)propyl]-5-[4-(2-propen-1-yloxy)phenyl]-2,3-pyrrolidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-Ethoxyphenyl)hydroxymethylene]-1-[3-(1H-imidazol-1-yl)propyl]-5-[4-(2-propen-1-yloxy)phenyl]-2,3-pyrrolidinedione?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Ethoxyphenyl)hydroxymethylene]-1-[3-(1H-imidazol-1-yl)propyl]-5-[4-(2-propen-1-yloxy)phenyl]-2,3-pyrrolidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.