ChemDiv1_021786
TL;DR: ChemDiv1_021786 (CAS 317324-19-9) is a chemical compound with molecular formula C22H20BrNO5 and molecular weight 457.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-prop-2-enylpyrrolidine-2,3-dione
Also Known As: ChemDiv1_021786, AO-022/43453729, (4E)-4-[(4-bromophenyl)(hydroxy)methylidene]-5-(3,4-dimethoxyphenyl)-1-(prop-2-en-1-yl)pyrrolidine-2,3-dione, (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-prop-2-enylpyrrolidine-2,3-dione, 1-allyl-4-(4-bromobenzoyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C22H20BrNO5 |
|---|---|
| Molecular Weight | 457.05 g/mol |
| LogP | 4.074 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.0525 |
| Heavy Atoms | 29 |
| Complexity | 996.76227 |
Chemical Identifiers
| CAS Number | 317324-19-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)Br)\O)/C(=O)C(=O)N2CC=C)OC |
Product Overview
ChemDiv1_021786 (CAS 317324-19-9), with molecular formula C22H20BrNO5 and molecular weight 457.05 g/mol. IUPAC: (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-prop-2-enylpyrrolidine-2,3-dione.
Chemical Property Profile of ChemDiv1_021786
Property Insights of ChemDiv1_021786
The XLogP value of 4.074 indicates that ChemDiv1_021786 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021786. Following Lipinski's Rule of Five, ChemDiv1_021786 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_021786?
The CAS number of ChemDiv1_021786 is 317324-19-9.
What is the molecular formula of ChemDiv1_021786?
The molecular formula of ChemDiv1_021786 is C22H20BrNO5.
What is the molecular weight of ChemDiv1_021786?
The molecular weight of ChemDiv1_021786 is 457.05 g/mol.
Where can I buy ChemDiv1_021786?
You can request a quote for ChemDiv1_021786 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021786?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021786 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.