![N-[(1E,3Z)-3-ethoxy-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline;iodide structure](/static/products/5119/5119-70-0.webp)
N-[(1E,3Z)-3-ethoxy-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline;iodide
TL;DR: N-[(1E,3Z)-3-ethoxy-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline;iodide (CAS 5119-70-0) is a chemical compound with molecular formula C21H23IN2OS and molecular weight 478.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1E,3Z)-3-ethoxy-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline iodide
Also Known As: N-[(1E,3Z)-3-ethoxy-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline;iodide, 2-(4-anilino-2-ethoxy-1,3-butadien-1-yl)-3-ethyl-1,3-benzothiazol-3-ium iodide, 2-[(1Z,3E)-4-Anilino-2-ethoxybuta-1,3-dien-1-yl]-3-ethyl-1,3-benzothiazol-3-ium iodide, N-[(1E,3Z)-3-ethoxy-4-(3-ethylbenzothiazol-2-yl)buta-1,3-dienyl]aniline Iodide, N-[(1E,3Z)-3-ethoxy-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline iodide
| Molecular Formula | C21H23IN2OS |
|---|---|
| Molecular Weight | 478.06 g/mol |
| LogP | 2.2159 |
| Topological Polar Surface Area | 25.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.0576 |
| Heavy Atoms | 26 |
| Complexity | 887.4223 |
Chemical Identifiers
| CAS Number | 5119-70-0 |
|---|---|
| SMILES | CC[N+]1=C(SC2=CC=CC=C21)/C=C(/C=C/NC3=CC=CC=C3)\OCC.[I-] |
Product Overview
N-[(1E,3Z)-3-ethoxy-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline;iodide (CAS 5119-70-0), with molecular formula C21H23IN2OS and molecular weight 478.06 g/mol. IUPAC: N-[(1E,3Z)-3-ethoxy-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline iodide.
Chemical Property Profile of N-[(1E,3Z)-3-ethoxy-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline;iodide
Property Insights of N-[(1E,3Z)-3-ethoxy-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline;iodide
The XLogP value of 2.2159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(1E,3Z)-3-ethoxy-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline;iodide. With a topological polar surface area (TPSA) of 25.14 Ų, N-[(1E,3Z)-3-ethoxy-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline;iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(1E,3Z)-3-ethoxy-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline;iodide has 1 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 N-[(1E,3Z)-3-ethoxy-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline;iodide?
The CAS number of N-[(1E,3Z)-3-ethoxy-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline;iodide is 5119-70-0.
What is the molecular formula of N-[(1E,3Z)-3-ethoxy-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline;iodide?
The molecular formula of N-[(1E,3Z)-3-ethoxy-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline;iodide is C21H23IN2OS.
What is the molecular weight of N-[(1E,3Z)-3-ethoxy-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline;iodide?
The molecular weight of N-[(1E,3Z)-3-ethoxy-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline;iodide is 478.06 g/mol.
Where can I buy N-[(1E,3Z)-3-ethoxy-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline;iodide?
You can request a quote for N-[(1E,3Z)-3-ethoxy-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline;iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(1E,3Z)-3-ethoxy-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline;iodide?
Yes, KEHONG BIO provides custom synthesis services for N-[(1E,3Z)-3-ethoxy-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline;iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.