ChemDiv1_027714
TL;DR: ChemDiv1_027714 (CAS 5950-38-9) is a chemical compound with molecular formula C21H14BrN3O3 and molecular weight 435.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-1-pyridin-2-yl-5-pyridin-3-ylpyrrolidine-2,3-dione
Also Known As: ChemDiv1_027714, BIM-0038653.P001, (4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-1-pyridin-2-yl-5-pyridin-3-ylpyrrolidine-2,3-dione, (4Z)-4-[(4-Bromophenyl)(hydroxy)methylidene]-1-(pyridin-2-yl)-5-(pyridin-3-yl)pyrrolidine-2,3-dione
| Molecular Formula | C21H14BrN3O3 |
|---|---|
| Molecular Weight | 435.02 g/mol |
| LogP | 3.8654 |
| Topological Polar Surface Area | 83.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 435.02185 |
| Heavy Atoms | 28 |
| Complexity | 1067.0696 |
Chemical Identifiers
| CAS Number | 5950-38-9 |
|---|---|
| SMILES | C1=CC=NC(=C1)N2C(/C(=C(\C3=CC=C(C=C3)Br)/O)/C(=O)C2=O)C4=CN=CC=C4 |
Product Overview
ChemDiv1_027714 (CAS 5950-38-9), with molecular formula C21H14BrN3O3 and molecular weight 435.02 g/mol. IUPAC: (4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-1-pyridin-2-yl-5-pyridin-3-ylpyrrolidine-2,3-dione.
Chemical Property Profile of ChemDiv1_027714
Property Insights of ChemDiv1_027714
The XLogP value of 3.8654 indicates that ChemDiv1_027714 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.39 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_027714. Following Lipinski's Rule of Five, ChemDiv1_027714 has 1 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 ChemDiv1_027714?
The CAS number of ChemDiv1_027714 is 5950-38-9.
What is the molecular formula of ChemDiv1_027714?
The molecular formula of ChemDiv1_027714 is C21H14BrN3O3.
What is the molecular weight of ChemDiv1_027714?
The molecular weight of ChemDiv1_027714 is 435.02 g/mol.
Where can I buy ChemDiv1_027714?
You can request a quote for ChemDiv1_027714 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027714?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027714 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.