8-(p-Ethylbenzyl)atropinium bromide
TL;DR: 8-(p-Ethylbenzyl)atropinium bromide (CAS 4004-37-9) is a chemical compound with molecular formula C26H34BrNO3 and molecular weight 487.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-[(4-ethylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide
Also Known As: 8-(p-Ethylbenzyl)atropinium bromide, Atropinium, 8-(p-ethylbenzyl)-, bromide, N-685, beta-8-(p-Ethylbenzyl)atropinium bromide, N-784
| Molecular Formula | C26H34BrNO3 |
|---|---|
| Molecular Weight | 487.17 g/mol |
| LogP | 1.2123 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 487.1722 |
| Heavy Atoms | 31 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 4004-37-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C[N+]2(C3CCC2CC(C3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-] |
| InChIKey | IUYKFNDYYJOUQO-UHFFFAOYSA-M |
Product Overview
8-(p-Ethylbenzyl)atropinium bromide (CAS 4004-37-9), with molecular formula C26H34BrNO3 and molecular weight 487.17 g/mol. IUPAC: [8-[(4-ethylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide.
Chemical Property Profile of 8-(p-Ethylbenzyl)atropinium bromide
Property Insights of 8-(p-Ethylbenzyl)atropinium bromide
The XLogP value of 1.2123 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(p-Ethylbenzyl)atropinium bromide. With a topological polar surface area (TPSA) of 46.5 Ų, 8-(p-Ethylbenzyl)atropinium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(p-Ethylbenzyl)atropinium bromide has 1 hydrogen bond donor(s) and 4 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 8-(p-Ethylbenzyl)atropinium bromide?
The CAS number of 8-(p-Ethylbenzyl)atropinium bromide is 4004-37-9.
What is the molecular formula of 8-(p-Ethylbenzyl)atropinium bromide?
The molecular formula of 8-(p-Ethylbenzyl)atropinium bromide is C26H34BrNO3.
What is the molecular weight of 8-(p-Ethylbenzyl)atropinium bromide?
The molecular weight of 8-(p-Ethylbenzyl)atropinium bromide is 487.17 g/mol.
Where can I buy 8-(p-Ethylbenzyl)atropinium bromide?
You can request a quote for 8-(p-Ethylbenzyl)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-Ethylbenzyl)atropinium bromide?
Yes, KEHONG BIO provides custom synthesis services for 8-(p-Ethylbenzyl)atropinium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.