RefChem:373423
TL;DR: RefChem:373423 (CAS 35690-12-1) is a chemical compound with molecular formula C27H43Br2NO3 and molecular weight 587.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]piperidin-1-ium bromide
Also Known As: KST-1B3650, Piperidinium, 1-(2-bromo-4,5-dimethoxy)benzyl-1-(2-(2-(6,6-dimethyl-2-norpinyl)ethoxy)ethyl)-, bromide, 1-(2-bromo-4,5-dimethoxybenzyl)-1-{2-[2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethoxy]ethyl}piperidinium bromide, 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-[2-[2-(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]piperidin-1-ium bromide, 1-[(2-Bromo-4,5-dimethoxyphenyl)methyl]-1-{2-[2-(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethoxy]ethyl}piperidin-1-ium bromide
| Molecular Formula | C27H43Br2NO3 |
|---|---|
| Molecular Weight | 587.16 g/mol |
| LogP | 3.45 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 589.15894 |
| Heavy Atoms | 33 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 35690-12-1 |
|---|---|
| SMILES | CC1(C2CCC(C1C2)CCOCC[N+]3(CCCCC3)CC4=CC(=C(C=C4Br)OC)OC)C.[Br-] |
| InChIKey | AQJLRRRVSDFMAQ-UHFFFAOYSA-M |
Product Overview
RefChem:373423 (CAS 35690-12-1), with molecular formula C27H43Br2NO3 and molecular weight 587.16 g/mol. IUPAC: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]piperidin-1-ium bromide.
Chemical Property Profile of RefChem:373423
Property Insights of RefChem:373423
The XLogP value of 3.45 indicates that RefChem:373423 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, RefChem:373423 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:373423 has 0 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:373423?
The CAS number of RefChem:373423 is 35690-12-1.
What is the molecular formula of RefChem:373423?
The molecular formula of RefChem:373423 is C27H43Br2NO3.
What is the molecular weight of RefChem:373423?
The molecular weight of RefChem:373423 is 587.16 g/mol.
Where can I buy RefChem:373423?
You can request a quote for RefChem:373423 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:373423?
Yes, KEHONG BIO provides custom synthesis services for RefChem:373423 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.