1,3-diacetyl-2-(indol-3-yl)-4-imidazoline
TL;DR: 1,3-diacetyl-2-(indol-3-yl)-4-imidazoline (CAS 59211-93-7) is a chemical compound with molecular formula C15H15N3O2 and molecular weight 269.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-acetyl-2-(1H-indol-3-yl)-2H-imidazol-1-yl]ethanone
Also Known As: 1,3-diacetyl-2-(indol-3-yl)-4-imidazoline, 1,3-diacetyl-2-indol-3-yl-4-imidazoline, 1-[3-acetyl-2-(1H-indol-3-yl)-2H-imidazol-1-yl]ethanone, 1,1'-[2-(1H-Indol-3-yl)-1H-imidazole-1,3(2H)-diyl]di(ethan-1-one), RefChem:381618
| Molecular Formula | C15H15N3O2 |
|---|---|
| Molecular Weight | 269.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 56.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.11642 |
| Heavy Atoms | 20 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 59211-93-7 |
|---|---|
| SMILES | CC(=O)N1C=CN(C1C2=CNC3=CC=CC=C32)C(=O)C |
| InChIKey | GLUBKPIZYUIRPJ-UHFFFAOYSA-N |
Product Overview
1,3-diacetyl-2-(indol-3-yl)-4-imidazoline (CAS 59211-93-7), with molecular formula C15H15N3O2 and molecular weight 269.12 g/mol. IUPAC: 1-[3-acetyl-2-(1H-indol-3-yl)-2H-imidazol-1-yl]ethanone.
Chemical Property Profile of 1,3-diacetyl-2-(indol-3-yl)-4-imidazoline
Property Insights of 1,3-diacetyl-2-(indol-3-yl)-4-imidazoline
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-diacetyl-2-(indol-3-yl)-4-imidazoline. With a topological polar surface area (TPSA) of 56.4 Ų, 1,3-diacetyl-2-(indol-3-yl)-4-imidazoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-diacetyl-2-(indol-3-yl)-4-imidazoline 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 1,3-diacetyl-2-(indol-3-yl)-4-imidazoline?
The CAS number of 1,3-diacetyl-2-(indol-3-yl)-4-imidazoline is 59211-93-7.
What is the molecular formula of 1,3-diacetyl-2-(indol-3-yl)-4-imidazoline?
The molecular formula of 1,3-diacetyl-2-(indol-3-yl)-4-imidazoline is C15H15N3O2.
What is the molecular weight of 1,3-diacetyl-2-(indol-3-yl)-4-imidazoline?
The molecular weight of 1,3-diacetyl-2-(indol-3-yl)-4-imidazoline is 269.12 g/mol.
Where can I buy 1,3-diacetyl-2-(indol-3-yl)-4-imidazoline?
You can request a quote for 1,3-diacetyl-2-(indol-3-yl)-4-imidazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-diacetyl-2-(indol-3-yl)-4-imidazoline?
Yes, KEHONG BIO provides custom synthesis services for 1,3-diacetyl-2-(indol-3-yl)-4-imidazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.