IFLab1_006531
TL;DR: IFLab1_006531 (CAS 519012-25-0) is a chemical compound with molecular formula C24H18N2O4 and molecular weight 398.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzoyl-5-oxo-2-phenyl-1-pyridin-2-yl-2H-pyrrol-4-yl) acetate
Also Known As: IFLab1_006531, 2-oxo-5-phenyl-4-(phenylcarbonyl)-1-(pyridin-2-yl)-2,5-dihydro-1H-pyrrol-3-yl acetate, (3-benzoyl-5-oxo-2-phenyl-1-pyridin-2-yl-2H-pyrrol-4-yl) acetate
| Molecular Formula | C24H18N2O4 |
|---|---|
| Molecular Weight | 398.13 g/mol |
| LogP | 3.8696 |
| Topological Polar Surface Area | 76.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.12665 |
| Heavy Atoms | 30 |
| Complexity | 1125.642 |
Chemical Identifiers
| CAS Number | 519012-25-0 |
|---|---|
| SMILES | CC(=O)OC1=C(C(N(C1=O)C2=CC=CC=N2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4 |
Product Overview
IFLab1_006531 (CAS 519012-25-0), with molecular formula C24H18N2O4 and molecular weight 398.13 g/mol. IUPAC: (3-benzoyl-5-oxo-2-phenyl-1-pyridin-2-yl-2H-pyrrol-4-yl) acetate.
Chemical Property Profile of IFLab1_006531
Property Insights of IFLab1_006531
The XLogP value of 3.8696 indicates that IFLab1_006531 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.57 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_006531. Following Lipinski's Rule of Five, IFLab1_006531 has 0 hydrogen bond donor(s) and 5 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_006531?
The CAS number of IFLab1_006531 is 519012-25-0.
What is the molecular formula of IFLab1_006531?
The molecular formula of IFLab1_006531 is C24H18N2O4.
What is the molecular weight of IFLab1_006531?
The molecular weight of IFLab1_006531 is 398.13 g/mol.
Where can I buy IFLab1_006531?
You can request a quote for IFLab1_006531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_006531?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_006531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.