RefChem:178293
TL;DR: RefChem:178293 (CAS 63815-67-8) is a chemical compound with molecular formula C25H25F3N2O4S2 and molecular weight 538.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(1-ethyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-5-(trifluoromethyl)-1,3-benzothiazol-3-yl]butane-1-sulfonate
Also Known As: chromium(3+) tris(2-acetylphenolate), 1-Ethyl-6-methoxy-2-(3-(4-sulfobutyl)-5-trifluoromethyl)-2(3H)-benzothiazolylidene)methylquinolinium hydroxide, inner salt, 1-Ethyl-6-methoxy-2-(3-(4-sulfobutyl)-5-trifluoromethyl)-2-benzothiazolylidene)methylquinolinium hydroxide, inner salt, Quinolinium, 1-ethyl-6-methoxy-2-((3-(4-sulfobutyl)-5-(trifluoromethyl)-2(3H)-benzothiazolylidene)methyl)-, inner salt, Quinolinium, 1-ethyl-6-methoxy-2-[[3-(4-sulfobutyl)-5-(trifluoromethyl)-2(3H)-benzothiazolylidene]methyl]-, inner salt
| Molecular Formula | C25H25F3N2O4S2 |
|---|---|
| Molecular Weight | 538.12 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 538.1208 |
| Heavy Atoms | 36 |
| Complexity | 866.0 |
Chemical Identifiers
| CAS Number | 63815-67-8 |
|---|---|
| SMILES | CC[N+]1=C(C=CC2=C1C=CC(=C2)OC)C=C3N(C4=C(S3)C=CC(=C4)C(F)(F)F)CCCCS(=O)(=O)[O-] |
| InChIKey | YHZDVFLTJHWIPE-UHFFFAOYSA-N |
Product Overview
RefChem:178293 (CAS 63815-67-8), with molecular formula C25H25F3N2O4S2 and molecular weight 538.12 g/mol. IUPAC: 4-[2-[(1-ethyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-5-(trifluoromethyl)-1,3-benzothiazol-3-yl]butane-1-sulfonate.
Chemical Property Profile of RefChem:178293
Property Insights of RefChem:178293
The XLogP value of 5.5 indicates that RefChem:178293 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:178293. Following Lipinski's Rule of Five, RefChem:178293 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:178293?
The CAS number of RefChem:178293 is 63815-67-8.
What is the molecular formula of RefChem:178293?
The molecular formula of RefChem:178293 is C25H25F3N2O4S2.
What is the molecular weight of RefChem:178293?
The molecular weight of RefChem:178293 is 538.12 g/mol.
Where can I buy RefChem:178293?
You can request a quote for RefChem:178293 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:178293?
Yes, KEHONG BIO provides custom synthesis services for RefChem:178293 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.