8-(p-Octylbenzyl)tropinium bromide mandelate
TL;DR: 8-(p-Octylbenzyl)tropinium bromide mandelate (CAS 78371-79-6) is a chemical compound with molecular formula C31H44BrNO3 and molecular weight 557.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,5S)-8-methyl-8-[(4-octylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate bromide
Also Known As: 8-(p-Octylbenzyl)tropinium bromide mandelate, N-922, Tropinium, 8-(p-octylbenzyl)-, bromide, mandelate, 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-(p-octylbenzyl)-, bromide, 2-hydroxy-2-phenylacetate (ester), [(1R,5S)-8-methyl-8-[(4-octylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate bromide
| Molecular Formula | C31H44BrNO3 |
|---|---|
| Molecular Weight | 557.25 g/mol |
| LogP | 3.5104 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 557.2505 |
| Heavy Atoms | 36 |
| Complexity | 918.5966 |
Chemical Identifiers
| CAS Number | 78371-79-6 |
|---|---|
| SMILES | CCCCCCCCC1=CC=C(C=C1)C[N+]2([C@@H]3CC[C@H]2CC(C3)OC(=O)C(C4=CC=CC=C4)O)C.[Br-] |
Product Overview
8-(p-Octylbenzyl)tropinium bromide mandelate (CAS 78371-79-6), with molecular formula C31H44BrNO3 and molecular weight 557.25 g/mol. IUPAC: [(1R,5S)-8-methyl-8-[(4-octylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate bromide.
Chemical Property Profile of 8-(p-Octylbenzyl)tropinium bromide mandelate
Property Insights of 8-(p-Octylbenzyl)tropinium bromide mandelate
The XLogP value of 3.5104 indicates that 8-(p-Octylbenzyl)tropinium bromide mandelate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 8-(p-Octylbenzyl)tropinium bromide mandelate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(p-Octylbenzyl)tropinium bromide mandelate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-(p-Octylbenzyl)tropinium bromide mandelate?
The CAS number of 8-(p-Octylbenzyl)tropinium bromide mandelate is 78371-79-6.
What is the molecular formula of 8-(p-Octylbenzyl)tropinium bromide mandelate?
The molecular formula of 8-(p-Octylbenzyl)tropinium bromide mandelate is C31H44BrNO3.
What is the molecular weight of 8-(p-Octylbenzyl)tropinium bromide mandelate?
The molecular weight of 8-(p-Octylbenzyl)tropinium bromide mandelate is 557.25 g/mol.
Where can I buy 8-(p-Octylbenzyl)tropinium bromide mandelate?
You can request a quote for 8-(p-Octylbenzyl)tropinium bromide mandelate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(p-Octylbenzyl)tropinium bromide mandelate?
Yes, KEHONG BIO provides custom synthesis services for 8-(p-Octylbenzyl)tropinium bromide mandelate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.