RefChem:1097893
TL;DR: RefChem:1097893 (CAS 147366-58-3) is a chemical compound with molecular formula C27H27N3O3S2 and molecular weight 505.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z,5E)-3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one acetate
Also Known As: Quinolinium, 1-ethyl-2-((3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene)methyl)-, acetate, hydrate (1:1:3), (2Z,5E)-3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one acetate, RefChem:1097893
| Molecular Formula | C27H27N3O3S2 |
|---|---|
| Molecular Weight | 505.15 g/mol |
| LogP | 2.2831 |
| Topological Polar Surface Area | 69.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 505.14938 |
| Heavy Atoms | 35 |
| Complexity | 1583.5023 |
Chemical Identifiers
| CAS Number | 147366-58-3 |
|---|---|
| SMILES | CCN1/C(=C/C2=[N+](C3=CC=CC=C3C=C2)CC)/S/C(=C/4\N(C5=CC=CC=C5S4)C)/C1=O.CC(=O)[O-] |
Product Overview
RefChem:1097893 (CAS 147366-58-3), with molecular formula C27H27N3O3S2 and molecular weight 505.15 g/mol. IUPAC: (2Z,5E)-3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one acetate.
Chemical Property Profile of RefChem:1097893
Property Insights of RefChem:1097893
The XLogP value of 2.2831 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1097893. The TPSA of 69.25 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097893. Following Lipinski's Rule of Five, RefChem:1097893 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1097893?
The CAS number of RefChem:1097893 is 147366-58-3.
What is the molecular formula of RefChem:1097893?
The molecular formula of RefChem:1097893 is C27H27N3O3S2.
What is the molecular weight of RefChem:1097893?
The molecular weight of RefChem:1097893 is 505.15 g/mol.
Where can I buy RefChem:1097893?
You can request a quote for RefChem:1097893 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097893?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097893 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.