BAS 00805098
TL;DR: BAS 00805098 (CAS 332022-69-2) is a chemical compound with molecular formula C20H18BrNO4 and molecular weight 415.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(4-bromophenyl)-4-[hydroxy(phenyl)methylidene]-1-(3-hydroxypropyl)pyrrolidine-2,3-dione
Also Known As: BAS 00805098, AB00096794-01, (4E)-5-(4-bromophenyl)-4-[hydroxy(phenyl)methylidene]-1-(3-hydroxypropyl)pyrrolidine-2,3-dione, 4-benzoyl-5-(4-bromophenyl)-3-hydroxy-1-(3-hydroxypropyl)-1H-pyrrol-2(5H)-one, 5-(4-bromophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-(phenylcarbonyl)-3-pyrrolin- 2-one
| Molecular Formula | C20H18BrNO4 |
|---|---|
| Molecular Weight | 415.04 g/mol |
| LogP | 3.2532 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.04193 |
| Heavy Atoms | 26 |
| Complexity | 845.8747 |
Chemical Identifiers
| CAS Number | 332022-69-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCO)C3=CC=C(C=C3)Br)/O |
Product Overview
BAS 00805098 (CAS 332022-69-2), with molecular formula C20H18BrNO4 and molecular weight 415.04 g/mol. IUPAC: (4E)-5-(4-bromophenyl)-4-[hydroxy(phenyl)methylidene]-1-(3-hydroxypropyl)pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 00805098
Property Insights of BAS 00805098
The XLogP value of 3.2532 indicates that BAS 00805098 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00805098. Following Lipinski's Rule of Five, BAS 00805098 has 2 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 BAS 00805098?
The CAS number of BAS 00805098 is 332022-69-2.
What is the molecular formula of BAS 00805098?
The molecular formula of BAS 00805098 is C20H18BrNO4.
What is the molecular weight of BAS 00805098?
The molecular weight of BAS 00805098 is 415.04 g/mol.
Where can I buy BAS 00805098?
You can request a quote for BAS 00805098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00805098?
Yes, KEHONG BIO provides custom synthesis services for BAS 00805098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.