beta-Piperidinoethyl trans-beta-(3-indolyl)acrylate methiodide
TL;DR: beta-Piperidinoethyl trans-beta-(3-indolyl)acrylate methiodide (CAS 70882-56-3) is a chemical compound with molecular formula C19H25IN2O2 and molecular weight 440.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methylpiperidin-1-ium-1-yl)ethyl (E)-3-(1H-indol-3-yl)prop-2-enoate iodide
Also Known As: beta-Piperidinoethyl trans-beta-(3-indolyl)acrylate methiodide, (E)-1-(2-((3-(1H-Indol-3-yl)-1-oxo-2-propenyl)oxy)ethyl)-1-methylpiperidinium iodide, Piperidinium, 1-(2-((3-(1H-indol-3-yl)-1-oxo-2-propenyl)oxy)ethyl)-1-methyl-, iodide, (E)-, 2-(1-methylpiperidin-1-ium-1-yl)ethyl (E)-3-(1H-indol-3-yl)prop-2-enoate iodide
| Molecular Formula | C19H25IN2O2 |
|---|---|
| Molecular Weight | 440.10 g/mol |
| LogP | 0.3588 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.09607 |
| Heavy Atoms | 24 |
| Complexity | 702.20966 |
Chemical Identifiers
| CAS Number | 70882-56-3 |
|---|---|
| SMILES | C[N+]1(CCCCC1)CCOC(=O)/C=C/C2=CNC3=CC=CC=C32.[I-] |
Product Overview
beta-Piperidinoethyl trans-beta-(3-indolyl)acrylate methiodide (CAS 70882-56-3), with molecular formula C19H25IN2O2 and molecular weight 440.10 g/mol. IUPAC: 2-(1-methylpiperidin-1-ium-1-yl)ethyl (E)-3-(1H-indol-3-yl)prop-2-enoate iodide.
Chemical Property Profile of beta-Piperidinoethyl trans-beta-(3-indolyl)acrylate methiodide
Property Insights of beta-Piperidinoethyl trans-beta-(3-indolyl)acrylate methiodide
The XLogP value of 0.3588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Piperidinoethyl trans-beta-(3-indolyl)acrylate methiodide. With a topological polar surface area (TPSA) of 42.09 Ų, beta-Piperidinoethyl trans-beta-(3-indolyl)acrylate methiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Piperidinoethyl 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-Piperidinoethyl trans-beta-(3-indolyl)acrylate methiodide?
The CAS number of beta-Piperidinoethyl trans-beta-(3-indolyl)acrylate methiodide is 70882-56-3.
What is the molecular formula of beta-Piperidinoethyl trans-beta-(3-indolyl)acrylate methiodide?
The molecular formula of beta-Piperidinoethyl trans-beta-(3-indolyl)acrylate methiodide is C19H25IN2O2.
What is the molecular weight of beta-Piperidinoethyl trans-beta-(3-indolyl)acrylate methiodide?
The molecular weight of beta-Piperidinoethyl trans-beta-(3-indolyl)acrylate methiodide is 440.10 g/mol.
Where can I buy beta-Piperidinoethyl trans-beta-(3-indolyl)acrylate methiodide?
You can request a quote for beta-Piperidinoethyl 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-Piperidinoethyl trans-beta-(3-indolyl)acrylate methiodide?
Yes, KEHONG BIO provides custom synthesis services for beta-Piperidinoethyl trans-beta-(3-indolyl)acrylate methiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.