1-Ethyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium
TL;DR: 1-Ethyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium (CAS 4966-84-1) is a chemical compound with molecular formula C17H19O+ and molecular weight 239.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium
Also Known As: TimTec1_004955, BAS 00154777, 1-ethyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium, 1-Ethyl-3-phenyl-5,6,7,8-tetrahydro-isochromenylium, 1-Ethyl-3-phenyl-5,6,7,8-tetrahydro-2-benzopyran-2-ium
| Molecular Formula | C17H19O+ |
|---|---|
| Molecular Weight | 239.14 g/mol |
| LogP | 4.6689 |
| Topological Polar Surface Area | 11.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.14359 |
| Heavy Atoms | 18 |
| Complexity | 525.7866 |
Chemical Identifiers
| CAS Number | 4966-84-1 |
|---|---|
| SMILES | CCC1=C2CCCCC2=CC(=[O+]1)C3=CC=CC=C3 |
Product Overview
1-Ethyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium (CAS 4966-84-1), with molecular formula C17H19O+ and molecular weight 239.14 g/mol. IUPAC: 1-ethyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium.
Chemical Property Profile of 1-Ethyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium
Property Insights of 1-Ethyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium
The XLogP value of 4.6689 indicates that 1-Ethyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 11.3 Ų, 1-Ethyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium has 0 hydrogen bond donor(s) and 0 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 1-Ethyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium?
The CAS number of 1-Ethyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium is 4966-84-1.
What is the molecular formula of 1-Ethyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium?
The molecular formula of 1-Ethyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium is C17H19O+.
What is the molecular weight of 1-Ethyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium?
The molecular weight of 1-Ethyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium is 239.14 g/mol.
Where can I buy 1-Ethyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium?
You can request a quote for 1-Ethyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.