ChemDiv1_025705
TL;DR: ChemDiv1_025705 (CAS 312499-72-2) is a chemical compound with molecular formula C23H16BrClN2O4 and molecular weight 498.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-(5-bromo-2-pyridinyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Also Known As: ChemDiv1_025705, (4E)-1-(5-bromopyridin-2-yl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione, (4E)-1-(5-bromopyridin-2-yl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione, 1-(5-bromo-2-pyridinyl)-4-(4-chlorobenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C23H16BrClN2O4 |
|---|---|
| Molecular Weight | 498.00 g/mol |
| LogP | 5.1324 |
| Topological Polar Surface Area | 79.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 497.9982 |
| Heavy Atoms | 31 |
| Complexity | 1175.7081 |
Chemical Identifiers
| CAS Number | 312499-72-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C(=O)N2C4=NC=C(C=C4)Br |
Product Overview
ChemDiv1_025705 (CAS 312499-72-2), with molecular formula C23H16BrClN2O4 and molecular weight 498.00 g/mol. IUPAC: (4E)-1-(5-bromo-2-pyridinyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of ChemDiv1_025705
Property Insights of ChemDiv1_025705
The XLogP value of 5.1324 indicates that ChemDiv1_025705 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.73 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_025705. Following Lipinski's Rule of Five, ChemDiv1_025705 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_025705?
The CAS number of ChemDiv1_025705 is 312499-72-2.
What is the molecular formula of ChemDiv1_025705?
The molecular formula of ChemDiv1_025705 is C23H16BrClN2O4.
What is the molecular weight of ChemDiv1_025705?
The molecular weight of ChemDiv1_025705 is 498.00 g/mol.
Where can I buy ChemDiv1_025705?
You can request a quote for ChemDiv1_025705 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025705?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025705 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.