RefChem:309547
TL;DR: RefChem:309547 (CAS 5287-73-0) 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.
2-[(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)oxy]propyl-dimethylazanium dichloride
Also Known As: 2-[(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)oxy]propyl-dimethylazanium dichloride, 6H-Cyclohepta(b)quinoline, 2-chloro-11-(2-(dimethylamino)-1-methylethoxy)- 7,8,9,10-tetrahydro-, dihydrochloride, 6H-Cyclohepta(b)quinoline, 2-chloro-11-(2-(dimethylamino)-1-methylethoxy)-7,8,9,10-tetrahydro-, dihydrochloride, 6H-CYCLOHEPTA(b)QUINOLINE, 2-CHLORO-11-(2-(DIMETHYLAMINO)-1-METHYLETHOXY)-7,8,9,, RefChem:309547
| 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 | 4 |
| Exact Mass | 404.1189 |
| Heavy Atoms | 25 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 5287-73-0 |
|---|---|
| SMILES | CC(C[NH+](C)C)OC1=C2CCCCCC2=[NH+]C3=C1C=C(C=C3)Cl.[Cl-].[Cl-] |
| InChIKey | UYHOZLKBKONSPK-UHFFFAOYSA-N |
Product Overview
RefChem:309547 (CAS 5287-73-0), with molecular formula C19H27Cl3N2O and molecular weight 404.12 g/mol. IUPAC: 2-[(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)oxy]propyl-dimethylazanium dichloride.
Chemical Property Profile of RefChem:309547
Property Insights of RefChem:309547
The XLogP value of -3.5 indicates that RefChem:309547 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:309547 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:309547 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:309547?
The CAS number of RefChem:309547 is 5287-73-0.
What is the molecular formula of RefChem:309547?
The molecular formula of RefChem:309547 is C19H27Cl3N2O.
What is the molecular weight of RefChem:309547?
The molecular weight of RefChem:309547 is 404.12 g/mol.
Where can I buy RefChem:309547?
You can request a quote for RefChem:309547 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:309547?
Yes, KEHONG BIO provides custom synthesis services for RefChem:309547 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.