RefChem:178299
TL;DR: RefChem:178299 (CAS 53288-83-8) is a chemical compound with molecular formula C21H18N2O2S and molecular weight 362.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]acetate
Also Known As: 2,8-dibenzhydrylcyclooctan-1-one, Cyclooctanone,2,8-bis(diphenylmethyl), 2-((3-(carboxymethyl)-2(3H)-benzothiazolylidene)methyl)-1-ethylquinolinium, inner salt, Quinolinium, 2-((3-(carboxymethyl)-2(3H)-benzothiazolylidene)methyl)-1-ethyl-, inner salt, 2-[[3-(carboxymethyl)-2(3H)-benzothiazolylidene]methyl]-1-ethylquinolinium, inner salt
| Molecular Formula | C21H18N2O2S |
|---|---|
| Molecular Weight | 362.11 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.1089 |
| Heavy Atoms | 26 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 53288-83-8 |
|---|---|
| SMILES | CC[N+]1=C(C=CC2=CC=CC=C21)C=C3N(C4=CC=CC=C4S3)CC(=O)[O-] |
| InChIKey | ZDKFHCYNZYQJRJ-UHFFFAOYSA-N |
Product Overview
RefChem:178299 (CAS 53288-83-8), with molecular formula C21H18N2O2S and molecular weight 362.11 g/mol. IUPAC: 2-[2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]acetate.
Chemical Property Profile of RefChem:178299
Property Insights of RefChem:178299
The XLogP value of 5.4 indicates that RefChem:178299 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:178299. Following Lipinski's Rule of Five, RefChem:178299 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:178299?
The CAS number of RefChem:178299 is 53288-83-8.
What is the molecular formula of RefChem:178299?
The molecular formula of RefChem:178299 is C21H18N2O2S.
What is the molecular weight of RefChem:178299?
The molecular weight of RefChem:178299 is 362.11 g/mol.
Where can I buy RefChem:178299?
You can request a quote for RefChem:178299 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:178299?
Yes, KEHONG BIO provides custom synthesis services for RefChem:178299 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.