C25H25ClN2O4S2
TL;DR: C25H25ClN2O4S2 (CAS 22268-66-2) is a chemical compound with molecular formula C25H25ClN2O4S2 and molecular weight 516.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole perchlorate
Also Known As: 1-benzhydryl-1,2,4-triazole, 3,3-DIETHYLTHIATRICARBOCYANINE PERCHLORATE, 3-Ethyl-2-(7-(3-ethylbenzo[d]thiazol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl)benzo[d]thiazol-3-ium perchlorate, (2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethylbenzothiazol-2-yl)hepta-2,4,6-trienylidene]benzothiazole perchlorate, 3-Ethyl-2-(7-(3-ethylbenzothiazol-2-ylidene)-1,3,5-heptatrienyl)benzothiazolium perchlorate
| Molecular Formula | C25H25ClN2O4S2 |
|---|---|
| Molecular Weight | 516.09 g/mol |
| LogP | 2.0519 |
| Topological Polar Surface Area | 99.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 516.0944 |
| Heavy Atoms | 34 |
| Complexity | 1223.1239 |
Chemical Identifiers
| CAS Number | 22268-66-2 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2SC1=CC=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CC.[O-]Cl(=O)(=O)=O |
Product Overview
C25H25ClN2O4S2 (CAS 22268-66-2), with molecular formula C25H25ClN2O4S2 and molecular weight 516.09 g/mol. IUPAC: 3-ethyl-2-[7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole perchlorate.
Chemical Property Profile of C25H25ClN2O4S2
Property Insights of C25H25ClN2O4S2
The XLogP value of 2.0519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C25H25ClN2O4S2. The TPSA of 99.36 Ų falls within the moderate polarity range, balancing permeability and solubility for C25H25ClN2O4S2. Following Lipinski's Rule of Five, C25H25ClN2O4S2 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C25H25ClN2O4S2?
The CAS number of C25H25ClN2O4S2 is 22268-66-2.
What is the molecular formula of C25H25ClN2O4S2?
The molecular formula of C25H25ClN2O4S2 is C25H25ClN2O4S2.
What is the molecular weight of C25H25ClN2O4S2?
The molecular weight of C25H25ClN2O4S2 is 516.09 g/mol.
Where can I buy C25H25ClN2O4S2?
You can request a quote for C25H25ClN2O4S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C25H25ClN2O4S2?
Yes, KEHONG BIO provides custom synthesis services for C25H25ClN2O4S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.