IFLab1_006513
TL;DR: IFLab1_006513 (CAS 608095-44-9) is a chemical compound with molecular formula C27H25NO4 and molecular weight 427.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)-1-(2-phenylethyl)pyrrolidine-2,3-dione
Also Known As: IFLab1_006513, 4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(2-phenylethyl)-2,5-dihydro-1H-pyrrol-2-one, 4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)-1-phenethylpyrrolidine-2,3-dione
| Molecular Formula | C27H25NO4 |
|---|---|
| Molecular Weight | 427.18 g/mol |
| LogP | 4.67344 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.17834 |
| Heavy Atoms | 32 |
| Complexity | 1196.0858 |
Chemical Identifiers
| CAS Number | 608095-44-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)C(=C2C(N(C(=O)C2=O)CCC3=CC=CC=C3)C4=CC=C(C=C4)O)O |
Product Overview
IFLab1_006513 (CAS 608095-44-9), with molecular formula C27H25NO4 and molecular weight 427.18 g/mol. IUPAC: 4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)-1-(2-phenylethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of IFLab1_006513
Property Insights of IFLab1_006513
The XLogP value of 4.67344 indicates that IFLab1_006513 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_006513. Following Lipinski's Rule of Five, IFLab1_006513 has 2 hydrogen bond donor(s) and 4 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 IFLab1_006513?
The CAS number of IFLab1_006513 is 608095-44-9.
What is the molecular formula of IFLab1_006513?
The molecular formula of IFLab1_006513 is C27H25NO4.
What is the molecular weight of IFLab1_006513?
The molecular weight of IFLab1_006513 is 427.18 g/mol.
Where can I buy IFLab1_006513?
You can request a quote for IFLab1_006513 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_006513?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_006513 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.