Isoanantine
TL;DR: Isoanantine (CAS 50656-92-3) is a chemical compound with molecular formula C15H15N3O and molecular weight 253.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E,4S)-3-benzylidene-4-(3-methylimidazol-4-yl)pyrrolidin-2-one
Also Known As: Isoanantine, (-)-isoanantine, (3E,4S)-3-benzylidene-4-(3-methylimidazol-4-yl)pyrrolidin-2-one, (3E,4S)-4-(3-Methyl-3H-imidazol-4-yl)-3-benzylidene-2-pyrrolizinone, 3-[(E)-Benzylidene]-4alpha-(1-methyl-1H-imidazol-5-yl)pyrrolidin-2-one
| Molecular Formula | C15H15N3O |
|---|---|
| Molecular Weight | 253.12 g/mol |
| LogP | 1.7171 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.1215 |
| Heavy Atoms | 19 |
| Complexity | 627.85004 |
Chemical Identifiers
| CAS Number | 50656-92-3 |
|---|---|
| SMILES | CN1C=NC=C1[C@@H]\2CNC(=O)/C2=C/C3=CC=CC=C3 |
Product Overview
Isoanantine (CAS 50656-92-3), with molecular formula C15H15N3O and molecular weight 253.12 g/mol. IUPAC: (3E,4S)-3-benzylidene-4-(3-methylimidazol-4-yl)pyrrolidin-2-one.
Chemical Property Profile of Isoanantine
Property Insights of Isoanantine
The XLogP value of 1.7171 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoanantine. With a topological polar surface area (TPSA) of 46.92 Ų, Isoanantine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoanantine has 1 hydrogen bond donor(s) and 2 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 Isoanantine?
The CAS number of Isoanantine is 50656-92-3.
What is the molecular formula of Isoanantine?
The molecular formula of Isoanantine is C15H15N3O.
What is the molecular weight of Isoanantine?
The molecular weight of Isoanantine is 253.12 g/mol.
Where can I buy Isoanantine?
You can request a quote for Isoanantine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoanantine?
Yes, KEHONG BIO provides custom synthesis services for Isoanantine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.