RefChem:309541
TL;DR: RefChem:309541 (CAS 18833-63-1) is a chemical compound with molecular formula C20H27Cl2F3N2O and molecular weight 438.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[3-[[3-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl]oxy]propyl]azanium dichloride
Also Known As: 6H-Cyclohepta(b)quinoline, 11-(3-(dimethylamino)propoxy)-7,8,9,10-tetrahydro-3-(trifluoromethyl)-, dihydrochloride, 6H-CYCLOHEPTA(b)QUINOLINE, 11-(3-(DIMETHYLAMINO)PROPOXY)-7,8,9,10-TETRAHYDRO-3-(, 1-Propanamine,N,N-dimethyl-3-[[7,8,9,10-tetrahydro-3-(trifluoromethyl)-6H-cyclohepta[b]quinolin-11-yl]oxy]-,hydrochloride (1:2), 1-Propanamine,N,N-dimethyl-3-[[7,8,9,10-tetrahydro-3-(trifluoromethyl)-6H-cyclohepta[b]quinolin-11-yl]oxy]-,hydrochloride(1:2), dimethyl-[3-[[3-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl]oxy]propyl]azanium dichloride
| Molecular Formula | C20H27Cl2F3N2O |
|---|---|
| Molecular Weight | 438.15 g/mol |
| LogP | -3.14 |
| Topological Polar Surface Area | 27.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.14526 |
| Heavy Atoms | 28 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 18833-63-1 |
|---|---|
| SMILES | C[NH+](C)CCCOC1=C2CCCCCC2=[NH+]C3=C1C=CC(=C3)C(F)(F)F.[Cl-].[Cl-] |
| InChIKey | MQENDMXFHJIPCA-UHFFFAOYSA-N |
Product Overview
RefChem:309541 (CAS 18833-63-1), with molecular formula C20H27Cl2F3N2O and molecular weight 438.15 g/mol. IUPAC: dimethyl-[3-[[3-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl]oxy]propyl]azanium dichloride.
Chemical Property Profile of RefChem:309541
Property Insights of RefChem:309541
The XLogP value of -3.14 indicates that RefChem:309541 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 27.8 Ų, RefChem:309541 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:309541 has 2 hydrogen bond donor(s) and 6 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 RefChem:309541?
The CAS number of RefChem:309541 is 18833-63-1.
What is the molecular formula of RefChem:309541?
The molecular formula of RefChem:309541 is C20H27Cl2F3N2O.
What is the molecular weight of RefChem:309541?
The molecular weight of RefChem:309541 is 438.15 g/mol.
Where can I buy RefChem:309541?
You can request a quote for RefChem:309541 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:309541?
Yes, KEHONG BIO provides custom synthesis services for RefChem:309541 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.