R 111
TL;DR: R 111 (CAS 42064-87-9) is a chemical compound with molecular formula C23H32BrNO and molecular weight 417.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dimethyl-1-[3-(2-methylphenoxy)-3-phenylpropyl]piperidin-1-ium bromide
Also Known As: R 111, 1,2-Dimethyl-1-(3-(2-methylphenoxy)-3-phenylpropyl)piperidinium, bromide, SID:124767947, 2-Tolyl 1-phenyl-3-(2-methylpiperidinio)propyl ether methyl bromide, 1,2-dimethyl-1-[3-(2-methylphenoxy)-3-phenylpropyl]piperidin-1-ium bromide
| Molecular Formula | C23H32BrNO |
|---|---|
| Molecular Weight | 417.17 g/mol |
| LogP | 2.52822 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.16672 |
| Heavy Atoms | 26 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 42064-87-9 |
|---|---|
| SMILES | CC1CCCC[N+]1(C)CCC(C2=CC=CC=C2)OC3=CC=CC=C3C.[Br-] |
| InChIKey | NMJQBLVCTWZTJG-UHFFFAOYSA-M |
Product Overview
R 111 (CAS 42064-87-9), with molecular formula C23H32BrNO and molecular weight 417.17 g/mol. IUPAC: 1,2-dimethyl-1-[3-(2-methylphenoxy)-3-phenylpropyl]piperidin-1-ium bromide.
Chemical Property Profile of R 111
Property Insights of R 111
The XLogP value of 2.52822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for R 111. With a topological polar surface area (TPSA) of 9.2 Ų, R 111 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, R 111 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 R 111?
The CAS number of R 111 is 42064-87-9.
What is the molecular formula of R 111?
The molecular formula of R 111 is C23H32BrNO.
What is the molecular weight of R 111?
The molecular weight of R 111 is 417.17 g/mol.
Where can I buy R 111?
You can request a quote for R 111 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for R 111?
Yes, KEHONG BIO provides custom synthesis services for R 111 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.