2-(4-(4-N,N-dimethylanilinyl)-1,3-butadienyl)-3-propyl-benzothiazolium
TL;DR: 2-(4-(4-N,N-dimethylanilinyl)-1,3-butadienyl)-3-propyl-benzothiazolium (CAS 90832-31-8) is a chemical compound with molecular formula C22H25N2S+ and molecular weight 349.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-[(1E,3E)-4-(3-propyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline
Also Known As: DABPB, 2-(4-(4-N,N-Dimethylanilinyl)-1,3-butadienyl)-3-propyl-benzothiazolium, N,N-dimethyl-4-[(1E,3E)-4-(3-propyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline, 2-(4-(4-N,N-Dimethylanilinyl)-1,3-butadienyl)-3-propyl-benzothiazolium iodide, Benzothiazolium, 2-(4-(4-(dimethylamino)phenyl)-1,3-butadienyl)-3-propyl-, (6R-(6alpha,7beta(Z)))-
| Molecular Formula | C22H25N2S+ |
|---|---|
| Molecular Weight | 349.17 g/mol |
| LogP | 5.3914 |
| Topological Polar Surface Area | 7.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.17386 |
| Heavy Atoms | 25 |
| Complexity | 886.03613 |
Chemical Identifiers
| CAS Number | 90832-31-8 |
|---|---|
| SMILES | CCC[N+]1=C(SC2=CC=CC=C21)/C=C/C=C/C3=CC=C(C=C3)N(C)C |
Product Overview
2-(4-(4-N,N-dimethylanilinyl)-1,3-butadienyl)-3-propyl-benzothiazolium (CAS 90832-31-8), with molecular formula C22H25N2S+ and molecular weight 349.17 g/mol. IUPAC: N,N-dimethyl-4-[(1E,3E)-4-(3-propyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline.
Chemical Property Profile of 2-(4-(4-N,N-dimethylanilinyl)-1,3-butadienyl)-3-propyl-benzothiazolium
Property Insights of 2-(4-(4-N,N-dimethylanilinyl)-1,3-butadienyl)-3-propyl-benzothiazolium
The XLogP value of 5.3914 indicates that 2-(4-(4-N,N-dimethylanilinyl)-1,3-butadienyl)-3-propyl-benzothiazolium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 7.12 Ų, 2-(4-(4-N,N-dimethylanilinyl)-1,3-butadienyl)-3-propyl-benzothiazolium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-(4-N,N-dimethylanilinyl)-1,3-butadienyl)-3-propyl-benzothiazolium 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-(4-N,N-dimethylanilinyl)-1,3-butadienyl)-3-propyl-benzothiazolium?
The CAS number of 2-(4-(4-N,N-dimethylanilinyl)-1,3-butadienyl)-3-propyl-benzothiazolium is 90832-31-8.
What is the molecular formula of 2-(4-(4-N,N-dimethylanilinyl)-1,3-butadienyl)-3-propyl-benzothiazolium?
The molecular formula of 2-(4-(4-N,N-dimethylanilinyl)-1,3-butadienyl)-3-propyl-benzothiazolium is C22H25N2S+.
What is the molecular weight of 2-(4-(4-N,N-dimethylanilinyl)-1,3-butadienyl)-3-propyl-benzothiazolium?
The molecular weight of 2-(4-(4-N,N-dimethylanilinyl)-1,3-butadienyl)-3-propyl-benzothiazolium is 349.17 g/mol.
Where can I buy 2-(4-(4-N,N-dimethylanilinyl)-1,3-butadienyl)-3-propyl-benzothiazolium?
You can request a quote for 2-(4-(4-N,N-dimethylanilinyl)-1,3-butadienyl)-3-propyl-benzothiazolium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-(4-N,N-dimethylanilinyl)-1,3-butadienyl)-3-propyl-benzothiazolium?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(4-N,N-dimethylanilinyl)-1,3-butadienyl)-3-propyl-benzothiazolium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.