RefChem:309555
TL;DR: RefChem:309555 (CAS 5546-63-4) is a chemical compound with molecular formula C19H27Cl3N2O and molecular weight 404.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)oxy]propyl-dimethylazanium dichloride
Also Known As: 6H-Cyclohepta(b)quinoline, 4-chloro-11-(3-(dimethylamino)propoxy)-7,8,9,10-tetrahydro-, dihydrochloride, 4-Chloro-11-(3-(dimethylamino)propoxy)-7,8,9,10-tetrahydro-6H-cyclohepta(b)quinoline 2HCl, 3-[(4-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)oxy]propyl-dimethylazanium dichloride, 6H-CYCLOHEPTA(b)QUINOLINE, 4-CHLORO-11-(3-(DIMETHYLAMINO)PROPOXY)-7,8,9,10-TETRA, RefChem:309555
| Molecular Formula | C19H27Cl3N2O |
|---|---|
| Molecular Weight | 404.12 g/mol |
| LogP | -3.5 |
| Topological Polar Surface Area | 27.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.1189 |
| Heavy Atoms | 25 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 5546-63-4 |
|---|---|
| SMILES | C[NH+](C)CCCOC1=C2CCCCCC2=[NH+]C3=C1C=CC=C3Cl.[Cl-].[Cl-] |
| InChIKey | SHJOPHBRMMRNRO-UHFFFAOYSA-N |
Product Overview
RefChem:309555 (CAS 5546-63-4), with molecular formula C19H27Cl3N2O and molecular weight 404.12 g/mol. IUPAC: 3-[(4-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)oxy]propyl-dimethylazanium dichloride.
Chemical Property Profile of RefChem:309555
Property Insights of RefChem:309555
The XLogP value of -3.5 indicates that RefChem:309555 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:309555 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:309555 has 2 hydrogen bond donor(s) and 3 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:309555?
The CAS number of RefChem:309555 is 5546-63-4.
What is the molecular formula of RefChem:309555?
The molecular formula of RefChem:309555 is C19H27Cl3N2O.
What is the molecular weight of RefChem:309555?
The molecular weight of RefChem:309555 is 404.12 g/mol.
Where can I buy RefChem:309555?
You can request a quote for RefChem:309555 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:309555?
Yes, KEHONG BIO provides custom synthesis services for RefChem:309555 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.