RefChem:309549
TL;DR: RefChem:309549 (CAS 18833-57-3) is a chemical compound with molecular formula C20H29Cl3N2O and molecular weight 418.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)oxy]-2-methylpropyl]-dimethylazanium dichloride
Also Known As: 6H-Cyclohepta(b)quinoline, 2-chloro-11-(3-(dimethylamino)-2-methylpropoxy)-7,8,9,10-tetrahydro-, dihydrochloride, [3-[(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)oxy]-2-methylpropyl]-dimethylazanium dichloride, 6H-CYCLOHEPTA(b)QUINOLINE, 2-CHLORO-11-(3-(DIMETHYLAMINO)-2-METHYLPROPOXY)-7,8,9, RefChem:309549
| Molecular Formula | C20H29Cl3N2O |
|---|---|
| Molecular Weight | 418.13 g/mol |
| LogP | -3.26 |
| Topological Polar Surface Area | 27.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.13455 |
| Heavy Atoms | 26 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 18833-57-3 |
|---|---|
| SMILES | CC(C[NH+](C)C)COC1=C2CCCCCC2=[NH+]C3=C1C=C(C=C3)Cl.[Cl-].[Cl-] |
| InChIKey | BRVODRPYQGDDEV-UHFFFAOYSA-N |
Product Overview
RefChem:309549 (CAS 18833-57-3), with molecular formula C20H29Cl3N2O and molecular weight 418.13 g/mol. IUPAC: [3-[(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)oxy]-2-methylpropyl]-dimethylazanium dichloride.
Chemical Property Profile of RefChem:309549
Property Insights of RefChem:309549
The XLogP value of -3.26 indicates that RefChem:309549 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:309549 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:309549 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:309549?
The CAS number of RefChem:309549 is 18833-57-3.
What is the molecular formula of RefChem:309549?
The molecular formula of RefChem:309549 is C20H29Cl3N2O.
What is the molecular weight of RefChem:309549?
The molecular weight of RefChem:309549 is 418.13 g/mol.
Where can I buy RefChem:309549?
You can request a quote for RefChem:309549 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:309549?
Yes, KEHONG BIO provides custom synthesis services for RefChem:309549 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.