beta-Dimethylaminoethyl trans-beta-(3-indolyl)acrylate methiodide
TL;DR: beta-Dimethylaminoethyl trans-beta-(3-indolyl)acrylate methiodide (CAS 70882-55-2) is a chemical compound with molecular formula C16H21IN2O2 and molecular weight 400.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]oxyethyl-trimethylazanium iodide
Also Known As: beta-Dimethylaminoethyl trans-beta-(3-indolyl)acrylate methiodide, (E)-2-((3-(1H-Indol-3-yl)-1-oxo-2-propenyl)oxy)-N,N,N-trimethylethanaminium iodide, Ethanaminium, 2-((3-(1H-indol-3-yl)-1-oxo-2-propenyl)oxy)-N,N,N-trimethyl-, iodide, (E)-, 2-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]oxyethyl-trimethylazanium iodide, ETHANAMINIUM, 2-((3-(1H-INDOL-3-YL)-1-OXO-2-PROPENYL)OXY)-N,N,N-TRIMETHYL-, IODI
| Molecular Formula | C16H21IN2O2 |
|---|---|
| Molecular Weight | 400.06 g/mol |
| LogP | -0.5655 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.0648 |
| Heavy Atoms | 21 |
| Complexity | 626.4838 |
Chemical Identifiers
| CAS Number | 70882-55-2 |
|---|---|
| SMILES | C[N+](C)(C)CCOC(=O)/C=C/C1=CNC2=CC=CC=C21.[I-] |
Product Overview
beta-Dimethylaminoethyl trans-beta-(3-indolyl)acrylate methiodide (CAS 70882-55-2), with molecular formula C16H21IN2O2 and molecular weight 400.06 g/mol. IUPAC: 2-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]oxyethyl-trimethylazanium iodide.
Chemical Property Profile of beta-Dimethylaminoethyl trans-beta-(3-indolyl)acrylate methiodide
Property Insights of beta-Dimethylaminoethyl trans-beta-(3-indolyl)acrylate methiodide
The XLogP value of -0.5655 indicates that beta-Dimethylaminoethyl trans-beta-(3-indolyl)acrylate methiodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.09 Ų, beta-Dimethylaminoethyl trans-beta-(3-indolyl)acrylate methiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Dimethylaminoethyl trans-beta-(3-indolyl)acrylate methiodide 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 beta-Dimethylaminoethyl trans-beta-(3-indolyl)acrylate methiodide?
The CAS number of beta-Dimethylaminoethyl trans-beta-(3-indolyl)acrylate methiodide is 70882-55-2.
What is the molecular formula of beta-Dimethylaminoethyl trans-beta-(3-indolyl)acrylate methiodide?
The molecular formula of beta-Dimethylaminoethyl trans-beta-(3-indolyl)acrylate methiodide is C16H21IN2O2.
What is the molecular weight of beta-Dimethylaminoethyl trans-beta-(3-indolyl)acrylate methiodide?
The molecular weight of beta-Dimethylaminoethyl trans-beta-(3-indolyl)acrylate methiodide is 400.06 g/mol.
Where can I buy beta-Dimethylaminoethyl trans-beta-(3-indolyl)acrylate methiodide?
You can request a quote for beta-Dimethylaminoethyl trans-beta-(3-indolyl)acrylate methiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Dimethylaminoethyl trans-beta-(3-indolyl)acrylate methiodide?
Yes, KEHONG BIO provides custom synthesis services for beta-Dimethylaminoethyl trans-beta-(3-indolyl)acrylate methiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.