BAS 01247806
TL;DR: BAS 01247806 (CAS 459206-89-4) is a chemical compound with molecular formula C21H15N3O3 and molecular weight 357.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-pyrimidin-2-ylpyrrolidine-2,3-dione
Also Known As: BAS 01247806, 4-benzoyl-3-hydroxy-5-phenyl-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one, (4E)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-pyrimidin-2-ylpyrrolidine-2,3-dione, (E)-[4,5-dioxo-2-phenyl-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene](phenyl)methanolate
| Molecular Formula | C21H15N3O3 |
|---|---|
| Molecular Weight | 357.11 g/mol |
| LogP | 3.1029 |
| Topological Polar Surface Area | 83.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.11133 |
| Heavy Atoms | 27 |
| Complexity | 1018.31195 |
Chemical Identifiers
| CAS Number | 459206-89-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2/C(=C(/C3=CC=CC=C3)\O)/C(=O)C(=O)N2C4=NC=CC=N4 |
Product Overview
BAS 01247806 (CAS 459206-89-4), with molecular formula C21H15N3O3 and molecular weight 357.11 g/mol. IUPAC: (4E)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-pyrimidin-2-ylpyrrolidine-2,3-dione.
Chemical Property Profile of BAS 01247806
Property Insights of BAS 01247806
The XLogP value of 3.1029 indicates that BAS 01247806 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 BAS 01247806. Following Lipinski's Rule of Five, BAS 01247806 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 BAS 01247806?
The CAS number of BAS 01247806 is 459206-89-4.
What is the molecular formula of BAS 01247806?
The molecular formula of BAS 01247806 is C21H15N3O3.
What is the molecular weight of BAS 01247806?
The molecular weight of BAS 01247806 is 357.11 g/mol.
Where can I buy BAS 01247806?
You can request a quote for BAS 01247806 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01247806?
Yes, KEHONG BIO provides custom synthesis services for BAS 01247806 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.