A1894/0079477
TL;DR: A1894/0079477 (CAS 312499-75-5) is a chemical compound with molecular formula C24H17FN2O6 and molecular weight 448.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: A1894/0079477, 4-(4-fluorobenzoyl)-3-hydroxy-1-(4-methoxyphenyl)-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one, (4E)-4-[(4-fluorophenyl)(hydroxy)methylidene]-1-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione, (4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
| Molecular Formula | C24H17FN2O6 |
|---|---|
| Molecular Weight | 448.11 g/mol |
| LogP | 4.3688 |
| Topological Polar Surface Area | 109.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.10706 |
| Heavy Atoms | 33 |
| Complexity | 1267.8164 |
Chemical Identifiers
| CAS Number | 312499-75-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(/C(=C(/C3=CC=C(C=C3)F)\O)/C(=O)C2=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
A1894/0079477 (CAS 312499-75-5), with molecular formula C24H17FN2O6 and molecular weight 448.11 g/mol. IUPAC: (4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of A1894/0079477
Property Insights of A1894/0079477
The XLogP value of 4.3688 indicates that A1894/0079477 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.98 Ų falls within the moderate polarity range, balancing permeability and solubility for A1894/0079477. Following Lipinski's Rule of Five, A1894/0079477 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 A1894/0079477?
The CAS number of A1894/0079477 is 312499-75-5.
What is the molecular formula of A1894/0079477?
The molecular formula of A1894/0079477 is C24H17FN2O6.
What is the molecular weight of A1894/0079477?
The molecular weight of A1894/0079477 is 448.11 g/mol.
Where can I buy A1894/0079477?
You can request a quote for A1894/0079477 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1894/0079477?
Yes, KEHONG BIO provides custom synthesis services for A1894/0079477 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.