AB00097119-01
TL;DR: AB00097119-01 (CAS 332022-51-2) is a chemical compound with molecular formula C22H15N3O5 and molecular weight 401.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione
Also Known As: AB00097119-01, 4-benzoyl-3-hydroxy-5-(2-nitrophenyl)-1-(pyridin-2-yl)-1H-pyrrol-2(5H)-one, (4E)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione, 3-hydroxy-5-{2-nitrophenyl}-4-(phenylcarbonyl)-1-pyridin-2-yl-1,5-dihydro-2H-pyrrol-2-one, (E)-[2-(2-nitrophenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](phenyl)methanolate
| Molecular Formula | C22H15N3O5 |
|---|---|
| Molecular Weight | 401.10 g/mol |
| LogP | 3.6161 |
| Topological Polar Surface Area | 113.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.10117 |
| Heavy Atoms | 30 |
| Complexity | 1175.647 |
Chemical Identifiers
| CAS Number | 332022-51-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC=N3)C4=CC=CC=C4[N+](=O)[O-])/O |
Product Overview
AB00097119-01 (CAS 332022-51-2), with molecular formula C22H15N3O5 and molecular weight 401.10 g/mol. IUPAC: (4E)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione.
Chemical Property Profile of AB00097119-01
Property Insights of AB00097119-01
The XLogP value of 3.6161 indicates that AB00097119-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.64 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00097119-01. Following Lipinski's Rule of Five, AB00097119-01 has 1 hydrogen bond donor(s) and 6 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 AB00097119-01?
The CAS number of AB00097119-01 is 332022-51-2.
What is the molecular formula of AB00097119-01?
The molecular formula of AB00097119-01 is C22H15N3O5.
What is the molecular weight of AB00097119-01?
The molecular weight of AB00097119-01 is 401.10 g/mol.
Where can I buy AB00097119-01?
You can request a quote for AB00097119-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00097119-01?
Yes, KEHONG BIO provides custom synthesis services for AB00097119-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.