A1904/0079996
TL;DR: A1904/0079996 (CAS 312502-08-2) is a chemical compound with molecular formula C22H15BrN2O3 and molecular weight 434.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-phenyl-1-pyridin-2-ylpyrrolidine-2,3-dione
Also Known As: A1904/0079996, (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-phenyl-1-pyridin-2-ylpyrrolidine-2,3-dione, 4-(4-bromobenzoyl)-3-hydroxy-5-phenyl-1-(2-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one, 4-(4-bromobenzoyl)-3-hydroxy-5-phenyl-1-(pyridin-2-yl)-1H-pyrrol-2(5H)-one, (4E)-4-[(4-bromophenyl)(hydroxy)methylidene]-5-phenyl-1-(pyridin-2-yl)pyrrolidine-2,3-dione
| Molecular Formula | C22H15BrN2O3 |
|---|---|
| Molecular Weight | 434.03 g/mol |
| LogP | 4.4704 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.0266 |
| Heavy Atoms | 28 |
| Complexity | 1063.9556 |
Chemical Identifiers
| CAS Number | 312502-08-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)Br)\O)/C(=O)C(=O)N2C4=CC=CC=N4 |
Product Overview
A1904/0079996 (CAS 312502-08-2), with molecular formula C22H15BrN2O3 and molecular weight 434.03 g/mol. IUPAC: (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-phenyl-1-pyridin-2-ylpyrrolidine-2,3-dione.
Chemical Property Profile of A1904/0079996
Property Insights of A1904/0079996
The XLogP value of 4.4704 indicates that A1904/0079996 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for A1904/0079996. Following Lipinski's Rule of Five, A1904/0079996 has 1 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 A1904/0079996?
The CAS number of A1904/0079996 is 312502-08-2.
What is the molecular formula of A1904/0079996?
The molecular formula of A1904/0079996 is C22H15BrN2O3.
What is the molecular weight of A1904/0079996?
The molecular weight of A1904/0079996 is 434.03 g/mol.
Where can I buy A1904/0079996?
You can request a quote for A1904/0079996 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1904/0079996?
Yes, KEHONG BIO provides custom synthesis services for A1904/0079996 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.