RefChem:227441
TL;DR: RefChem:227441 (CAS 4739-93-9) is a chemical compound with molecular formula C32H46BrNO3 and molecular weight 571.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-methyl-8-[(4-octylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide
Also Known As: 8-(p-Octylbenzyl)atropinium bromide, Atropinium, 8-(p-octylbenzyl)-, bromide, N-724, 1-alpha-H,5-alpha-H-Tropanium, 3-alpha-hydroxy-8-(p-octylbenzyl)-, bromide, (+-)-tropate, [8-methyl-8-[(4-octylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide
| Molecular Formula | C32H46BrNO3 |
|---|---|
| Molecular Weight | 571.27 g/mol |
| LogP | 3.5529 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 571.2661 |
| Heavy Atoms | 37 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 4739-93-9 |
|---|---|
| SMILES | CCCCCCCCC1=CC=C(C=C1)C[N+]2(C3CCC2CC(C3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-] |
| InChIKey | JTCAYVYSBOXIMW-UHFFFAOYSA-M |
Product Overview
RefChem:227441 (CAS 4739-93-9), with molecular formula C32H46BrNO3 and molecular weight 571.27 g/mol. IUPAC: [8-methyl-8-[(4-octylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide.
Chemical Property Profile of RefChem:227441
Property Insights of RefChem:227441
The XLogP value of 3.5529 indicates that RefChem:227441 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, RefChem:227441 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:227441 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:227441?
The CAS number of RefChem:227441 is 4739-93-9.
What is the molecular formula of RefChem:227441?
The molecular formula of RefChem:227441 is C32H46BrNO3.
What is the molecular weight of RefChem:227441?
The molecular weight of RefChem:227441 is 571.27 g/mol.
Where can I buy RefChem:227441?
You can request a quote for RefChem:227441 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:227441?
Yes, KEHONG BIO provides custom synthesis services for RefChem:227441 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.