RefChem:118585
TL;DR: RefChem:118585 (CAS 68134-33-8) is a chemical compound with molecular formula C21H27ClN4OS and molecular weight 418.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6-ethoxy-3-ethyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N,N-diethylaniline chloride
Also Known As: Amines, C16-22-tert-alkyl, t-Alkyl(C16-C22) primary amines, 2-[[4- phenyl]azo]-6-ethoxy-3-ethylbenzothiazoliumchloride, 2-{[4-(diethylamino)phenyl]diazenyl}-6-ethoxy-3-ethyl-1,3-benzothiazol-3-ium chloride, 2-((4-(Diethylamino)phenyl)azo)-6-ethoxy-3-ethylbenzothiazolium chloride
| Molecular Formula | C21H27ClN4OS |
|---|---|
| Molecular Weight | 418.16 g/mol |
| LogP | 2.87 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 418.15942 |
| Heavy Atoms | 28 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 68134-33-8 |
|---|---|
| SMILES | CC[N+]1=C(SC2=C1C=CC(=C2)OCC)N=NC3=CC=C(C=C3)N(CC)CC.[Cl-] |
| InChIKey | SLEICUQLEDIPQH-UHFFFAOYSA-M |
Product Overview
RefChem:118585 (CAS 68134-33-8), with molecular formula C21H27ClN4OS and molecular weight 418.16 g/mol. IUPAC: 4-[(6-ethoxy-3-ethyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N,N-diethylaniline chloride.
Chemical Property Profile of RefChem:118585
Property Insights of RefChem:118585
The XLogP value of 2.87 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:118585. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:118585. Following Lipinski's Rule of Five, RefChem:118585 has 0 hydrogen bond donor(s) and 6 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:118585?
The CAS number of RefChem:118585 is 68134-33-8.
What is the molecular formula of RefChem:118585?
The molecular formula of RefChem:118585 is C21H27ClN4OS.
What is the molecular weight of RefChem:118585?
The molecular weight of RefChem:118585 is 418.16 g/mol.
Where can I buy RefChem:118585?
You can request a quote for RefChem:118585 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118585?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118585 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.