8-(p-Butylbenzyl)atropinium bromide
TL;DR: 8-(p-Butylbenzyl)atropinium bromide (CAS 101636-41-3) is a chemical compound with molecular formula C28H38BrNO3 and molecular weight 515.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-[(4-butylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide
Also Known As: 8-(p-Butylbenzyl)atropinium bromide, Atropinium, 8-(p-butylbenzyl)-, bromide, N-682, 1-alpha-H,5-alpha-H-Tropanium, 8-(p-butylbenzyl)-3-alpha-hydroxy-, bromide, (+-)-tropate, [8-[(4-butylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide
| Molecular Formula | C28H38BrNO3 |
|---|---|
| Molecular Weight | 515.20 g/mol |
| LogP | 1.9925 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 515.2035 |
| Heavy Atoms | 33 |
| Complexity | 871.7753 |
Chemical Identifiers
| CAS Number | 101636-41-3 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)C[N+]2(C3CCC2CC(C3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-] |
Product Overview
8-(p-Butylbenzyl)atropinium bromide (CAS 101636-41-3), with molecular formula C28H38BrNO3 and molecular weight 515.20 g/mol. IUPAC: [8-[(4-butylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide.
Chemical Property Profile of 8-(p-Butylbenzyl)atropinium bromide
Property Insights of 8-(p-Butylbenzyl)atropinium bromide
The XLogP value of 1.9925 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(p-Butylbenzyl)atropinium bromide. With a topological polar surface area (TPSA) of 46.53 Ų, 8-(p-Butylbenzyl)atropinium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(p-Butylbenzyl)atropinium bromide 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-Butylbenzyl)atropinium bromide?
The CAS number of 8-(p-Butylbenzyl)atropinium bromide is 101636-41-3.
What is the molecular formula of 8-(p-Butylbenzyl)atropinium bromide?
The molecular formula of 8-(p-Butylbenzyl)atropinium bromide is C28H38BrNO3.
What is the molecular weight of 8-(p-Butylbenzyl)atropinium bromide?
The molecular weight of 8-(p-Butylbenzyl)atropinium bromide is 515.20 g/mol.
Where can I buy 8-(p-Butylbenzyl)atropinium bromide?
You can request a quote for 8-(p-Butylbenzyl)atropinium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(p-Butylbenzyl)atropinium bromide?
Yes, KEHONG BIO provides custom synthesis services for 8-(p-Butylbenzyl)atropinium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.