2-(3,4-Dimethylthiazolium)ethyl indole-3-propionate
TL;DR: 2-(3,4-Dimethylthiazolium)ethyl indole-3-propionate (CAS 88285-69-2) is a chemical compound with molecular formula C18H21N2O2S+ and molecular weight 329.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethyl 3-(1H-indol-3-yl)propanoate
Also Known As: DTEIP, 2-(3,4-Dimethylthiazolium)ethyl indole-3-propionate, 2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethyl 3-(1H-indol-3-yl)propanoate, Thiazolium, 5-(2-(3-(1H-indol-3-yl)-1-oxopropoxy)ethyl)-3,4-dimethyl-, 5-(2-{[3-(1H-indol-3-yl)propanoyl]oxy}ethyl)-3,4-dimethyl-1,3-thiazol-3-ium
| Molecular Formula | C18H21N2O2S+ |
|---|---|
| Molecular Weight | 329.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 329.1324 |
| Heavy Atoms | 23 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 88285-69-2 |
|---|---|
| SMILES | CC1=C(SC=[N+]1C)CCOC(=O)CCC2=CNC3=CC=CC=C32 |
| InChIKey | AYMSEVUHPXVZTM-UHFFFAOYSA-N |
Product Overview
2-(3,4-Dimethylthiazolium)ethyl indole-3-propionate (CAS 88285-69-2), with molecular formula C18H21N2O2S+ and molecular weight 329.13 g/mol. IUPAC: 2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethyl 3-(1H-indol-3-yl)propanoate.
Chemical Property Profile of 2-(3,4-Dimethylthiazolium)ethyl indole-3-propionate
Property Insights of 2-(3,4-Dimethylthiazolium)ethyl indole-3-propionate
The XLogP value of 3.7 indicates that 2-(3,4-Dimethylthiazolium)ethyl indole-3-propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-Dimethylthiazolium)ethyl indole-3-propionate. Following Lipinski's Rule of Five, 2-(3,4-Dimethylthiazolium)ethyl indole-3-propionate has 1 hydrogen bond donor(s) and 3 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 2-(3,4-Dimethylthiazolium)ethyl indole-3-propionate?
The CAS number of 2-(3,4-Dimethylthiazolium)ethyl indole-3-propionate is 88285-69-2.
What is the molecular formula of 2-(3,4-Dimethylthiazolium)ethyl indole-3-propionate?
The molecular formula of 2-(3,4-Dimethylthiazolium)ethyl indole-3-propionate is C18H21N2O2S+.
What is the molecular weight of 2-(3,4-Dimethylthiazolium)ethyl indole-3-propionate?
The molecular weight of 2-(3,4-Dimethylthiazolium)ethyl indole-3-propionate is 329.13 g/mol.
Where can I buy 2-(3,4-Dimethylthiazolium)ethyl indole-3-propionate?
You can request a quote for 2-(3,4-Dimethylthiazolium)ethyl indole-3-propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-Dimethylthiazolium)ethyl indole-3-propionate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dimethylthiazolium)ethyl indole-3-propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.