1-(2-Benzylphenoxy)-N-tert-butyl-N,N-dimethylpropan-2-aminium iodide
TL;DR: 1-(2-Benzylphenoxy)-N-tert-butyl-N,N-dimethylpropan-2-aminium iodide (CAS 7347-88-8) is a chemical compound with molecular formula C22H32INO and molecular weight 453.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-benzylphenoxy)propan-2-yl-tert-butyl-dimethylazanium iodide
Also Known As: (1-((2-Benzylphenoxy)methyl)ethyl)tert-butyldimethylammonium iodide, 1-(2-benzylphenoxy)propan-2-yl-tert-butyl-dimethylazanium iodide, AMMONIUM, (1-((2-BENZYLPHENOXY)METHYL)ETHYL)tert-BUTYLDIMETHYL-, IODIDE, 1-(2-Benzylphenoxy)-N-tert-butyl-N,N-dimethylpropan-2-aminium iodide, 2-Propanaminium, N,N,2-trimethyl-N-[1-methyl-1-[2-(phenylmethyl)phenoxy]ethyl]-, iodide
| Molecular Formula | C22H32INO |
|---|---|
| Molecular Weight | 453.15 g/mol |
| LogP | 1.92 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.15286 |
| Heavy Atoms | 25 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 7347-88-8 |
|---|---|
| SMILES | CC(COC1=CC=CC=C1CC2=CC=CC=C2)[N+](C)(C)C(C)(C)C.[I-] |
| InChIKey | JGTIQHSADBVJKY-UHFFFAOYSA-M |
Product Overview
1-(2-Benzylphenoxy)-N-tert-butyl-N,N-dimethylpropan-2-aminium iodide (CAS 7347-88-8), with molecular formula C22H32INO and molecular weight 453.15 g/mol. IUPAC: 1-(2-benzylphenoxy)propan-2-yl-tert-butyl-dimethylazanium iodide.
Chemical Property Profile of 1-(2-Benzylphenoxy)-N-tert-butyl-N,N-dimethylpropan-2-aminium iodide
Property Insights of 1-(2-Benzylphenoxy)-N-tert-butyl-N,N-dimethylpropan-2-aminium iodide
The XLogP value of 1.92 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Benzylphenoxy)-N-tert-butyl-N,N-dimethylpropan-2-aminium iodide. With a topological polar surface area (TPSA) of 9.2 Ų, 1-(2-Benzylphenoxy)-N-tert-butyl-N,N-dimethylpropan-2-aminium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Benzylphenoxy)-N-tert-butyl-N,N-dimethylpropan-2-aminium 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-Benzylphenoxy)-N-tert-butyl-N,N-dimethylpropan-2-aminium iodide?
The CAS number of 1-(2-Benzylphenoxy)-N-tert-butyl-N,N-dimethylpropan-2-aminium iodide is 7347-88-8.
What is the molecular formula of 1-(2-Benzylphenoxy)-N-tert-butyl-N,N-dimethylpropan-2-aminium iodide?
The molecular formula of 1-(2-Benzylphenoxy)-N-tert-butyl-N,N-dimethylpropan-2-aminium iodide is C22H32INO.
What is the molecular weight of 1-(2-Benzylphenoxy)-N-tert-butyl-N,N-dimethylpropan-2-aminium iodide?
The molecular weight of 1-(2-Benzylphenoxy)-N-tert-butyl-N,N-dimethylpropan-2-aminium iodide is 453.15 g/mol.
Where can I buy 1-(2-Benzylphenoxy)-N-tert-butyl-N,N-dimethylpropan-2-aminium iodide?
You can request a quote for 1-(2-Benzylphenoxy)-N-tert-butyl-N,N-dimethylpropan-2-aminium 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-Benzylphenoxy)-N-tert-butyl-N,N-dimethylpropan-2-aminium iodide?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Benzylphenoxy)-N-tert-butyl-N,N-dimethylpropan-2-aminium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.