Indole imidazoline
TL;DR: Indole imidazoline (CAS 36596-94-8) is a chemical compound with molecular formula C19H21N3O3S and molecular weight 371.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indole;4-methylbenzenesulfonic acid
Also Known As: Indole imidazoline, 3-((2-imidazolin-2-yl)methyl)indole, 3-((2-Imidazolin-2-yl)methyl)indole tosylate, 3-((4,5-dihydro-1h-imidazol-2-yl)methyl)-1h-indole, 3-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-1H-indole tosylate
| Molecular Formula | C19H21N3O3S |
|---|---|
| Molecular Weight | 371.13 g/mol |
| LogP | 2.95382 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.13037 |
| Heavy Atoms | 26 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 36596-94-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1CN=C(N1)CC2=CNC3=CC=CC=C32 |
| InChIKey | HKOMTKMXEJUHFO-UHFFFAOYSA-N |
Product Overview
Indole imidazoline (CAS 36596-94-8), with molecular formula C19H21N3O3S and molecular weight 371.13 g/mol. IUPAC: 3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indole;4-methylbenzenesulfonic acid.
Chemical Property Profile of Indole imidazoline
Property Insights of Indole imidazoline
The XLogP value of 2.95382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole imidazoline. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Indole imidazoline. Following Lipinski's Rule of Five, Indole imidazoline has 3 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 Indole imidazoline?
The CAS number of Indole imidazoline is 36596-94-8.
What is the molecular formula of Indole imidazoline?
The molecular formula of Indole imidazoline is C19H21N3O3S.
What is the molecular weight of Indole imidazoline?
The molecular weight of Indole imidazoline is 371.13 g/mol.
Where can I buy Indole imidazoline?
You can request a quote for Indole imidazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole imidazoline?
Yes, KEHONG BIO provides custom synthesis services for Indole imidazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.