RefChem:373422
TL;DR: RefChem:373422 (CAS 35690-13-2) is a chemical compound with molecular formula C29H47Br2NO3 and molecular weight 615.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]piperidin-1-ium bromide
Also Known As: KST-1B3651, Piperidinium, 1-(2-bromo-4,5-diethoxy)benzyl-1-(2-(2-(6,6-dimethyl-2-norpinyl)ethoxy)ethyl)-, bromide, 1-(2-bromo-4,5-diethoxybenzyl)-1-{2-[2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethoxy]ethyl}piperidinium bromide, 1-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-[2-[2-(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]piperidin-1-ium bromide, 1-[(2-Bromo-4,5-diethoxyphenyl)methyl]-1-{2-[2-(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethoxy]ethyl}piperidin-1-ium bromide
| Molecular Formula | C29H47Br2NO3 |
|---|---|
| Molecular Weight | 615.19 g/mol |
| LogP | 4.23 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 617.19025 |
| Heavy Atoms | 35 |
| Complexity | 622.0 |
Chemical Identifiers
| CAS Number | 35690-13-2 |
|---|---|
| SMILES | CCOC1=C(C=C(C(=C1)C[N+]2(CCCCC2)CCOCCC3CCC4CC3C4(C)C)Br)OCC.[Br-] |
| InChIKey | GUPWKIBOCFKLBR-UHFFFAOYSA-M |
Product Overview
RefChem:373422 (CAS 35690-13-2), with molecular formula C29H47Br2NO3 and molecular weight 615.19 g/mol. IUPAC: 1-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]piperidin-1-ium bromide.
Chemical Property Profile of RefChem:373422
Property Insights of RefChem:373422
The XLogP value of 4.23 indicates that RefChem:373422 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:373422 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:373422 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:373422?
The CAS number of RefChem:373422 is 35690-13-2.
What is the molecular formula of RefChem:373422?
The molecular formula of RefChem:373422 is C29H47Br2NO3.
What is the molecular weight of RefChem:373422?
The molecular weight of RefChem:373422 is 615.19 g/mol.
Where can I buy RefChem:373422?
You can request a quote for RefChem:373422 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:373422?
Yes, KEHONG BIO provides custom synthesis services for RefChem:373422 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.