3-Ethyl-2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)benzoxazoliumiodide
TL;DR: 3-Ethyl-2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)benzoxazoliumiodide (CAS 68006-75-7) is a chemical compound with molecular formula C19H19IN2OS and molecular weight 450.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzoxazole iodide
Also Known As: EINECS 268-138-6, 3-ethyl-2-[methyl]benzoxazoliumiodide, 3-ethyl-2-[ methyl]benzoxazoliumiodide, 3-Ethyl-2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)benzoxazoliumiodide, 3-ETHYL-2-[(3-ETHYL-3H-BENZOTHIAZOL-2-YLIDENE)METHYL]BENZOXAZOLIUM IODIDE
| Molecular Formula | C19H19IN2OS |
|---|---|
| Molecular Weight | 450.03 g/mol |
| LogP | 1.43 |
| Topological Polar Surface Area | 16.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.02628 |
| Heavy Atoms | 24 |
| Complexity | 903.27313 |
Chemical Identifiers
| CAS Number | 68006-75-7 |
|---|---|
| SMILES | CCN\1C2=CC=CC=C2O/C1=C\C3=[N+](C4=CC=CC=C4S3)CC.[I-] |
Product Overview
3-Ethyl-2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)benzoxazoliumiodide (CAS 68006-75-7), with molecular formula C19H19IN2OS and molecular weight 450.03 g/mol. IUPAC: (2Z)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzoxazole iodide.
Chemical Property Profile of 3-Ethyl-2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)benzoxazoliumiodide
Property Insights of 3-Ethyl-2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)benzoxazoliumiodide
The XLogP value of 1.43 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)benzoxazoliumiodide. With a topological polar surface area (TPSA) of 16.35 Ų, 3-Ethyl-2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)benzoxazoliumiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)benzoxazoliumiodide has 0 hydrogen bond donor(s) and 3 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 3-Ethyl-2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)benzoxazoliumiodide?
The CAS number of 3-Ethyl-2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)benzoxazoliumiodide is 68006-75-7.
What is the molecular formula of 3-Ethyl-2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)benzoxazoliumiodide?
The molecular formula of 3-Ethyl-2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)benzoxazoliumiodide is C19H19IN2OS.
What is the molecular weight of 3-Ethyl-2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)benzoxazoliumiodide?
The molecular weight of 3-Ethyl-2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)benzoxazoliumiodide is 450.03 g/mol.
Where can I buy 3-Ethyl-2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)benzoxazoliumiodide?
You can request a quote for 3-Ethyl-2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)benzoxazoliumiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)benzoxazoliumiodide?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)benzoxazoliumiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.