3-(Imidazoline-2'-ethyl)-5-methoxyindole p-toluenesulphonate
TL;DR: 3-(Imidazoline-2'-ethyl)-5-methoxyindole p-toluenesulphonate (CAS 57000-36-9) is a chemical compound with molecular formula C21H25N3O4S and molecular weight 415.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-methoxy-1H-indole;4-methylbenzenesulfonic acid
Also Known As: 3-(Imidazoline-2'-ethyl)-5-methoxyindole p-toluenesulphonate, 1H-Indole, 3-(2-(4,5-dihydro-1H-imidazol-2-yl)ethyl)-5-methoxy-, mono(4-methylbenzenesulfonate), 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-methoxy-1H-indole; 4-methylbenzenesulfonic acid, 4-Methylbenzene-1-sulfonic acid--3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-methoxy-1H-indole (1/1), RefChem:238780
| Molecular Formula | C21H25N3O4S |
|---|---|
| Molecular Weight | 415.16 g/mol |
| LogP | 3.35252 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.1566 |
| Heavy Atoms | 29 |
| Complexity | 1102.6616 |
Chemical Identifiers
| CAS Number | 57000-36-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC2=C(C=C1)NC=C2CCC3=NCCN3 |
Product Overview
3-(Imidazoline-2'-ethyl)-5-methoxyindole p-toluenesulphonate (CAS 57000-36-9), with molecular formula C21H25N3O4S and molecular weight 415.16 g/mol. IUPAC: 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-methoxy-1H-indole;4-methylbenzenesulfonic acid.
Chemical Property Profile of 3-(Imidazoline-2'-ethyl)-5-methoxyindole p-toluenesulphonate
Property Insights of 3-(Imidazoline-2'-ethyl)-5-methoxyindole p-toluenesulphonate
The XLogP value of 3.35252 indicates that 3-(Imidazoline-2'-ethyl)-5-methoxyindole p-toluenesulphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Imidazoline-2'-ethyl)-5-methoxyindole p-toluenesulphonate. Following Lipinski's Rule of Five, 3-(Imidazoline-2'-ethyl)-5-methoxyindole p-toluenesulphonate has 3 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 3-(Imidazoline-2'-ethyl)-5-methoxyindole p-toluenesulphonate?
The CAS number of 3-(Imidazoline-2'-ethyl)-5-methoxyindole p-toluenesulphonate is 57000-36-9.
What is the molecular formula of 3-(Imidazoline-2'-ethyl)-5-methoxyindole p-toluenesulphonate?
The molecular formula of 3-(Imidazoline-2'-ethyl)-5-methoxyindole p-toluenesulphonate is C21H25N3O4S.
What is the molecular weight of 3-(Imidazoline-2'-ethyl)-5-methoxyindole p-toluenesulphonate?
The molecular weight of 3-(Imidazoline-2'-ethyl)-5-methoxyindole p-toluenesulphonate is 415.16 g/mol.
Where can I buy 3-(Imidazoline-2'-ethyl)-5-methoxyindole p-toluenesulphonate?
You can request a quote for 3-(Imidazoline-2'-ethyl)-5-methoxyindole p-toluenesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Imidazoline-2'-ethyl)-5-methoxyindole p-toluenesulphonate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Imidazoline-2'-ethyl)-5-methoxyindole p-toluenesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.