beta-8-(p-Methylbenzyl)tropinium bromide benzoate
TL;DR: beta-8-(p-Methylbenzyl)tropinium bromide benzoate (CAS 100659-30-1) is a chemical compound with molecular formula C23H28BrNO2 and molecular weight 429.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,5S)-8-methyl-8-[(4-methylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate bromide
Also Known As: beta-8-(p-Methylbenzyl)tropinium bromide benzoate, N-863, N-867, alpha-8-(p-Methylbenzyl)tropinium bromide benzoate, 8-(p-Methylbenzyl)pseudotropinium bromide, benzoate
| Molecular Formula | C23H28BrNO2 |
|---|---|
| Molecular Weight | 429.13 g/mol |
| LogP | 1.49602 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.13034 |
| Heavy Atoms | 27 |
| Complexity | 760.72516 |
Chemical Identifiers
| CAS Number | 100659-30-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C[N+]2([C@@H]3CC[C@H]2CC(C3)OC(=O)C4=CC=CC=C4)C.[Br-] |
Product Overview
beta-8-(p-Methylbenzyl)tropinium bromide benzoate (CAS 100659-30-1), with molecular formula C23H28BrNO2 and molecular weight 429.13 g/mol. IUPAC: [(1R,5S)-8-methyl-8-[(4-methylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate bromide.
Chemical Property Profile of beta-8-(p-Methylbenzyl)tropinium bromide benzoate
Property Insights of beta-8-(p-Methylbenzyl)tropinium bromide benzoate
The XLogP value of 1.49602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-8-(p-Methylbenzyl)tropinium bromide benzoate. With a topological polar surface area (TPSA) of 26.3 Ų, beta-8-(p-Methylbenzyl)tropinium bromide benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-8-(p-Methylbenzyl)tropinium bromide benzoate 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 beta-8-(p-Methylbenzyl)tropinium bromide benzoate?
The CAS number of beta-8-(p-Methylbenzyl)tropinium bromide benzoate is 100659-30-1.
What is the molecular formula of beta-8-(p-Methylbenzyl)tropinium bromide benzoate?
The molecular formula of beta-8-(p-Methylbenzyl)tropinium bromide benzoate is C23H28BrNO2.
What is the molecular weight of beta-8-(p-Methylbenzyl)tropinium bromide benzoate?
The molecular weight of beta-8-(p-Methylbenzyl)tropinium bromide benzoate is 429.13 g/mol.
Where can I buy beta-8-(p-Methylbenzyl)tropinium bromide benzoate?
You can request a quote for beta-8-(p-Methylbenzyl)tropinium bromide benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-8-(p-Methylbenzyl)tropinium bromide benzoate?
Yes, KEHONG BIO provides custom synthesis services for beta-8-(p-Methylbenzyl)tropinium bromide benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.