![Benzothiazolium, 2-[4-(acetylphenylamino)-1,3-butadien-1-yl]-3-ethyl-, iodide (1:1) structure](/static/products/4138/41382-91-6.webp)
Benzothiazolium, 2-[4-(acetylphenylamino)-1,3-butadien-1-yl]-3-ethyl-, iodide (1:1)
TL;DR: Benzothiazolium, 2-[4-(acetylphenylamino)-1,3-butadien-1-yl]-3-ethyl-, iodide (1:1) (CAS 41382-91-6) is a chemical compound with molecular formula C21H21IN2OS and molecular weight 476.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide iodide
Also Known As: Benzothiazolium, 2-[4-(acetylphenylamino)-1,3-butadien-1-yl]-3-ethyl-, iodide (1:1), N-[4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide;iodide, Benzothiazolium, 2-[4-(acetylphenylamino)-1,3-butadienyl]-3-ethyl-, iodide, 3-Ethyl-2-[4-(N-phenylacetamido)buta-1,3-dien-1-yl]-1,3-benzothiazol-3-ium iodide
| Molecular Formula | C21H21IN2OS |
|---|---|
| Molecular Weight | 476.04 g/mol |
| LogP | 1.7927 |
| Topological Polar Surface Area | 24.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.04193 |
| Heavy Atoms | 26 |
| Complexity | 931.5939 |
Chemical Identifiers
| CAS Number | 41382-91-6 |
|---|---|
| SMILES | CC[N+]1=C(SC2=CC=CC=C21)C=CC=CN(C3=CC=CC=C3)C(=O)C.[I-] |
Product Overview
Benzothiazolium, 2-[4-(acetylphenylamino)-1,3-butadien-1-yl]-3-ethyl-, iodide (1:1) (CAS 41382-91-6), with molecular formula C21H21IN2OS and molecular weight 476.04 g/mol. IUPAC: N-[4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide iodide.
Chemical Property Profile of Benzothiazolium, 2-[4-(acetylphenylamino)-1,3-butadien-1-yl]-3-ethyl-, iodide (1:1)
Property Insights of Benzothiazolium, 2-[4-(acetylphenylamino)-1,3-butadien-1-yl]-3-ethyl-, iodide (1:1)
The XLogP value of 1.7927 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzothiazolium, 2-[4-(acetylphenylamino)-1,3-butadien-1-yl]-3-ethyl-, iodide (1:1). With a topological polar surface area (TPSA) of 24.19 Ų, Benzothiazolium, 2-[4-(acetylphenylamino)-1,3-butadien-1-yl]-3-ethyl-, iodide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazolium, 2-[4-(acetylphenylamino)-1,3-butadien-1-yl]-3-ethyl-, iodide (1:1) has 0 hydrogen bond donor(s) and 2 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 Benzothiazolium, 2-[4-(acetylphenylamino)-1,3-butadien-1-yl]-3-ethyl-, iodide (1:1)?
The CAS number of Benzothiazolium, 2-[4-(acetylphenylamino)-1,3-butadien-1-yl]-3-ethyl-, iodide (1:1) is 41382-91-6.
What is the molecular formula of Benzothiazolium, 2-[4-(acetylphenylamino)-1,3-butadien-1-yl]-3-ethyl-, iodide (1:1)?
The molecular formula of Benzothiazolium, 2-[4-(acetylphenylamino)-1,3-butadien-1-yl]-3-ethyl-, iodide (1:1) is C21H21IN2OS.
What is the molecular weight of Benzothiazolium, 2-[4-(acetylphenylamino)-1,3-butadien-1-yl]-3-ethyl-, iodide (1:1)?
The molecular weight of Benzothiazolium, 2-[4-(acetylphenylamino)-1,3-butadien-1-yl]-3-ethyl-, iodide (1:1) is 476.04 g/mol.
Where can I buy Benzothiazolium, 2-[4-(acetylphenylamino)-1,3-butadien-1-yl]-3-ethyl-, iodide (1:1)?
You can request a quote for Benzothiazolium, 2-[4-(acetylphenylamino)-1,3-butadien-1-yl]-3-ethyl-, iodide (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazolium, 2-[4-(acetylphenylamino)-1,3-butadien-1-yl]-3-ethyl-, iodide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazolium, 2-[4-(acetylphenylamino)-1,3-butadien-1-yl]-3-ethyl-, iodide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.