RefChem:309551
TL;DR: RefChem:309551 (CAS 18833-71-1) is a chemical compound with molecular formula C20H29Cl3N2S and molecular weight 434.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)sulfanyl]ethyl-diethylazanium dichloride
Also Known As: 6H-Cyclohepta(b)quinoline, 3-chloro-11-((2-(diethylamino)ethyl)thio)-7,8,9,10-tetrahydro-, dihydrochloride, 2-[(3-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)sulfanyl]ethyl-diethylazanium dichloride, 6H-CYCLOHEPTA(b)QUINOLINE, 3-CHLORO-11-((2-(DIETHYLAMINO)ETHYL)THIO)-7,8,9,10-TE, RefChem:309551
| Molecular Formula | C20H29Cl3N2S |
|---|---|
| Molecular Weight | 434.11 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.1117 |
| Heavy Atoms | 26 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 18833-71-1 |
|---|---|
| SMILES | CC[NH+](CC)CCSC1=C2CCCCCC2=[NH+]C3=C1C=CC(=C3)Cl.[Cl-].[Cl-] |
| InChIKey | MMXISAWVYOTNQU-UHFFFAOYSA-N |
Product Overview
RefChem:309551 (CAS 18833-71-1), with molecular formula C20H29Cl3N2S and molecular weight 434.11 g/mol. IUPAC: 2-[(3-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)sulfanyl]ethyl-diethylazanium dichloride.
Chemical Property Profile of RefChem:309551
Property Insights of RefChem:309551
The XLogP value of -2.4 indicates that RefChem:309551 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.9 Ų, RefChem:309551 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:309551 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:309551?
The CAS number of RefChem:309551 is 18833-71-1.
What is the molecular formula of RefChem:309551?
The molecular formula of RefChem:309551 is C20H29Cl3N2S.
What is the molecular weight of RefChem:309551?
The molecular weight of RefChem:309551 is 434.11 g/mol.
Where can I buy RefChem:309551?
You can request a quote for RefChem:309551 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:309551?
Yes, KEHONG BIO provides custom synthesis services for RefChem:309551 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.