1,2,3,4-Tetrahydro-3-(4-(ethoxycarbonyl)phenyl)-1,1,3-trimethyl-3,1-benzazasilinium iodide
TL;DR: 1,2,3,4-Tetrahydro-3-(4-(ethoxycarbonyl)phenyl)-1,1,3-trimethyl-3,1-benzazasilinium iodide (CAS 200064-97-7) is a chemical compound with molecular formula C20H26INO2Si and molecular weight 467.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(1,1,3-trimethyl-2,4-dihydro-3,1-benzazasilin-3-ium-3-yl)benzoate iodide
Also Known As: 1,2,3,4-Tetrahydro-3-(4-(ethoxycarbonyl)phenyl)-1,1,3-trimethyl-3,1-benzazasilinium iodide, Ethyl p-(4,4-dimethyl-4-sila-1,2,3,4-tetrahydro-2-isoquinolyl)benzoate methiodide, 3,1-Benzazasilinium, 1,2,3,4-tetrahydro-3-(4-(ethoxycarbonyl)phenyl)-1,1,3-trimethyl-, iodide, ethyl 4-(1,1,3-trimethyl-2,4-dihydro-3,1-benzazasilin-3-ium-3-yl)benzoate iodide, 3-[4-(Ethoxycarbonyl)phenyl]-1,1,3-trimethyl-1,2,3,4-tetrahydro-3,1-benzazasilin-3-ium iodide
| Molecular Formula | C20H26INO2Si |
|---|---|
| Molecular Weight | 467.08 g/mol |
| LogP | 0.4728 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 467.07776 |
| Heavy Atoms | 25 |
| Complexity | 760.5464 |
Chemical Identifiers
| CAS Number | 200064-97-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)[N+]2(CC3=CC=CC=C3[Si](C2)(C)C)C.[I-] |
Product Overview
1,2,3,4-Tetrahydro-3-(4-(ethoxycarbonyl)phenyl)-1,1,3-trimethyl-3,1-benzazasilinium iodide (CAS 200064-97-7), with molecular formula C20H26INO2Si and molecular weight 467.08 g/mol. IUPAC: ethyl 4-(1,1,3-trimethyl-2,4-dihydro-3,1-benzazasilin-3-ium-3-yl)benzoate iodide.
Chemical Property Profile of 1,2,3,4-Tetrahydro-3-(4-(ethoxycarbonyl)phenyl)-1,1,3-trimethyl-3,1-benzazasilinium iodide
Property Insights of 1,2,3,4-Tetrahydro-3-(4-(ethoxycarbonyl)phenyl)-1,1,3-trimethyl-3,1-benzazasilinium iodide
The XLogP value of 0.4728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4-Tetrahydro-3-(4-(ethoxycarbonyl)phenyl)-1,1,3-trimethyl-3,1-benzazasilinium iodide. With a topological polar surface area (TPSA) of 26.3 Ų, 1,2,3,4-Tetrahydro-3-(4-(ethoxycarbonyl)phenyl)-1,1,3-trimethyl-3,1-benzazasilinium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4-Tetrahydro-3-(4-(ethoxycarbonyl)phenyl)-1,1,3-trimethyl-3,1-benzazasilinium iodide has 0 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 1,2,3,4-Tetrahydro-3-(4-(ethoxycarbonyl)phenyl)-1,1,3-trimethyl-3,1-benzazasilinium iodide?
The CAS number of 1,2,3,4-Tetrahydro-3-(4-(ethoxycarbonyl)phenyl)-1,1,3-trimethyl-3,1-benzazasilinium iodide is 200064-97-7.
What is the molecular formula of 1,2,3,4-Tetrahydro-3-(4-(ethoxycarbonyl)phenyl)-1,1,3-trimethyl-3,1-benzazasilinium iodide?
The molecular formula of 1,2,3,4-Tetrahydro-3-(4-(ethoxycarbonyl)phenyl)-1,1,3-trimethyl-3,1-benzazasilinium iodide is C20H26INO2Si.
What is the molecular weight of 1,2,3,4-Tetrahydro-3-(4-(ethoxycarbonyl)phenyl)-1,1,3-trimethyl-3,1-benzazasilinium iodide?
The molecular weight of 1,2,3,4-Tetrahydro-3-(4-(ethoxycarbonyl)phenyl)-1,1,3-trimethyl-3,1-benzazasilinium iodide is 467.08 g/mol.
Where can I buy 1,2,3,4-Tetrahydro-3-(4-(ethoxycarbonyl)phenyl)-1,1,3-trimethyl-3,1-benzazasilinium iodide?
You can request a quote for 1,2,3,4-Tetrahydro-3-(4-(ethoxycarbonyl)phenyl)-1,1,3-trimethyl-3,1-benzazasilinium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-Tetrahydro-3-(4-(ethoxycarbonyl)phenyl)-1,1,3-trimethyl-3,1-benzazasilinium iodide?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Tetrahydro-3-(4-(ethoxycarbonyl)phenyl)-1,1,3-trimethyl-3,1-benzazasilinium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.