1-(3-(2-Chlorophenoxy)-3-phenylpropyl)-1,2-dimethylpiperidin-1-ium iodide
TL;DR: 1-(3-(2-Chlorophenoxy)-3-phenylpropyl)-1,2-dimethylpiperidin-1-ium iodide (CAS 42064-89-1) is a chemical compound with molecular formula C22H29ClINO and molecular weight 485.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(2-chlorophenoxy)-3-phenylpropyl]-1,2-dimethylpiperidin-1-ium iodide
Also Known As: R 97, R-97, SID:124768014, Piperidinium, 1-(3-(2-chlorophenoxy)-3-phenylpropyl)-1,2-dimethyl-, iodide, 186590-EP2272935A1
| Molecular Formula | C22H29ClINO |
|---|---|
| Molecular Weight | 485.10 g/mol |
| LogP | 2.8732 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.09824 |
| Heavy Atoms | 26 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 42064-89-1 |
|---|---|
| SMILES | CC1CCCC[N+]1(C)CCC(C2=CC=CC=C2)OC3=CC=CC=C3Cl.[I-] |
| InChIKey | HFMSXYVZHIGSEO-UHFFFAOYSA-M |
Product Overview
1-(3-(2-Chlorophenoxy)-3-phenylpropyl)-1,2-dimethylpiperidin-1-ium iodide (CAS 42064-89-1), with molecular formula C22H29ClINO and molecular weight 485.10 g/mol. IUPAC: 1-[3-(2-chlorophenoxy)-3-phenylpropyl]-1,2-dimethylpiperidin-1-ium iodide.
Chemical Property Profile of 1-(3-(2-Chlorophenoxy)-3-phenylpropyl)-1,2-dimethylpiperidin-1-ium iodide
Property Insights of 1-(3-(2-Chlorophenoxy)-3-phenylpropyl)-1,2-dimethylpiperidin-1-ium iodide
The XLogP value of 2.8732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-(2-Chlorophenoxy)-3-phenylpropyl)-1,2-dimethylpiperidin-1-ium iodide. With a topological polar surface area (TPSA) of 9.2 Ų, 1-(3-(2-Chlorophenoxy)-3-phenylpropyl)-1,2-dimethylpiperidin-1-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-(2-Chlorophenoxy)-3-phenylpropyl)-1,2-dimethylpiperidin-1-ium 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-(3-(2-Chlorophenoxy)-3-phenylpropyl)-1,2-dimethylpiperidin-1-ium iodide?
The CAS number of 1-(3-(2-Chlorophenoxy)-3-phenylpropyl)-1,2-dimethylpiperidin-1-ium iodide is 42064-89-1.
What is the molecular formula of 1-(3-(2-Chlorophenoxy)-3-phenylpropyl)-1,2-dimethylpiperidin-1-ium iodide?
The molecular formula of 1-(3-(2-Chlorophenoxy)-3-phenylpropyl)-1,2-dimethylpiperidin-1-ium iodide is C22H29ClINO.
What is the molecular weight of 1-(3-(2-Chlorophenoxy)-3-phenylpropyl)-1,2-dimethylpiperidin-1-ium iodide?
The molecular weight of 1-(3-(2-Chlorophenoxy)-3-phenylpropyl)-1,2-dimethylpiperidin-1-ium iodide is 485.10 g/mol.
Where can I buy 1-(3-(2-Chlorophenoxy)-3-phenylpropyl)-1,2-dimethylpiperidin-1-ium iodide?
You can request a quote for 1-(3-(2-Chlorophenoxy)-3-phenylpropyl)-1,2-dimethylpiperidin-1-ium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-(2-Chlorophenoxy)-3-phenylpropyl)-1,2-dimethylpiperidin-1-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-(2-Chlorophenoxy)-3-phenylpropyl)-1,2-dimethylpiperidin-1-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.