![2-[[4-(1,1-Dimethylethyl)-6-methyl-2H-pyran-2-ylidene]methyl]-3-ethylbenzothiazolium structure](/static/products/4353/435345-69-0.webp)
2-[[4-(1,1-Dimethylethyl)-6-methyl-2H-pyran-2-ylidene]methyl]-3-ethylbenzothiazolium
TL;DR: 2-[[4-(1,1-Dimethylethyl)-6-methyl-2H-pyran-2-ylidene]methyl]-3-ethylbenzothiazolium (CAS 435345-69-0) is a chemical compound with molecular formula C20H24NOS+ and molecular weight 326.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-tert-butyl-6-methylpyran-2-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium
Also Known As: 2-[[4-(1,1-Dimethylethyl)-6-methyl-2H-pyran-2-ylidene]methyl]-3-ethylbenzothiazolium, 2-[(4-tert-Butyl-6-methyl-2H-pyran-2-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium, 2-[(4-tert-butyl-6-methylpyran-2-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium
| Molecular Formula | C20H24NOS+ |
|---|---|
| Molecular Weight | 326.16 g/mol |
| LogP | 5.4561 |
| Topological Polar Surface Area | 13.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.15787 |
| Heavy Atoms | 23 |
| Complexity | 830.93396 |
Chemical Identifiers
| CAS Number | 435345-69-0 |
|---|---|
| SMILES | CC[N+]1=C(SC2=CC=CC=C21)C=C3C=C(C=C(O3)C)C(C)(C)C |
Product Overview
2-[[4-(1,1-Dimethylethyl)-6-methyl-2H-pyran-2-ylidene]methyl]-3-ethylbenzothiazolium (CAS 435345-69-0), with molecular formula C20H24NOS+ and molecular weight 326.16 g/mol. IUPAC: 2-[(4-tert-butyl-6-methylpyran-2-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium.
Chemical Property Profile of 2-[[4-(1,1-Dimethylethyl)-6-methyl-2H-pyran-2-ylidene]methyl]-3-ethylbenzothiazolium
Property Insights of 2-[[4-(1,1-Dimethylethyl)-6-methyl-2H-pyran-2-ylidene]methyl]-3-ethylbenzothiazolium
The XLogP value of 5.4561 indicates that 2-[[4-(1,1-Dimethylethyl)-6-methyl-2H-pyran-2-ylidene]methyl]-3-ethylbenzothiazolium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.11 Ų, 2-[[4-(1,1-Dimethylethyl)-6-methyl-2H-pyran-2-ylidene]methyl]-3-ethylbenzothiazolium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[4-(1,1-Dimethylethyl)-6-methyl-2H-pyran-2-ylidene]methyl]-3-ethylbenzothiazolium has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[4-(1,1-Dimethylethyl)-6-methyl-2H-pyran-2-ylidene]methyl]-3-ethylbenzothiazolium?
The CAS number of 2-[[4-(1,1-Dimethylethyl)-6-methyl-2H-pyran-2-ylidene]methyl]-3-ethylbenzothiazolium is 435345-69-0.
What is the molecular formula of 2-[[4-(1,1-Dimethylethyl)-6-methyl-2H-pyran-2-ylidene]methyl]-3-ethylbenzothiazolium?
The molecular formula of 2-[[4-(1,1-Dimethylethyl)-6-methyl-2H-pyran-2-ylidene]methyl]-3-ethylbenzothiazolium is C20H24NOS+.
What is the molecular weight of 2-[[4-(1,1-Dimethylethyl)-6-methyl-2H-pyran-2-ylidene]methyl]-3-ethylbenzothiazolium?
The molecular weight of 2-[[4-(1,1-Dimethylethyl)-6-methyl-2H-pyran-2-ylidene]methyl]-3-ethylbenzothiazolium is 326.16 g/mol.
Where can I buy 2-[[4-(1,1-Dimethylethyl)-6-methyl-2H-pyran-2-ylidene]methyl]-3-ethylbenzothiazolium?
You can request a quote for 2-[[4-(1,1-Dimethylethyl)-6-methyl-2H-pyran-2-ylidene]methyl]-3-ethylbenzothiazolium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[4-(1,1-Dimethylethyl)-6-methyl-2H-pyran-2-ylidene]methyl]-3-ethylbenzothiazolium?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-(1,1-Dimethylethyl)-6-methyl-2H-pyran-2-ylidene]methyl]-3-ethylbenzothiazolium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.