Thiazolium, 5-butyl-2-(4-(dimethylamino)phenyl)-3,4-dimethyl-, iodide (1:1)
TL;DR: Thiazolium, 5-butyl-2-(4-(dimethylamino)phenyl)-3,4-dimethyl-, iodide (1:1) (CAS 21102-97-6) is a chemical compound with molecular formula C17H25IN2S and molecular weight 416.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-butyl-3,4-dimethyl-1,3-thiazol-3-ium-2-yl)-N,N-dimethylaniline iodide
Also Known As: 5-butyl-2-[4-(dimethylamino)phenyl]-3,4-dimethyl-1,3-thiazol-3-ium iodide, Thiazolium, 5-butyl-2-(4-(dimethylamino)phenyl)-3,4-dimethyl-, iodide (1:1), 4-(5-butyl-3,4-dimethyl-1,3-thiazol-3-ium-2-yl)-N,N-dimethylaniline iodide, 4-(5-butyl-3,4-dimethyl-1,3-thiazol-2-yl)-N,N-dimethyl-aniline Iodide, 4-(5-butyl-3,4-dimethyl-1,3-thiazol-3-ium-2-yl)-N,N-dimethylaniline,iodide
| Molecular Formula | C17H25IN2S |
|---|---|
| Molecular Weight | 416.08 g/mol |
| LogP | 0.96062 |
| Topological Polar Surface Area | 35.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.0783 |
| Heavy Atoms | 21 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 21102-97-6 |
|---|---|
| SMILES | CCCCC1=C([N+](=C(S1)C2=CC=C(C=C2)N(C)C)C)C.[I-] |
| InChIKey | KLOMPMINAOBYFG-UHFFFAOYSA-M |
Product Overview
Thiazolium, 5-butyl-2-(4-(dimethylamino)phenyl)-3,4-dimethyl-, iodide (1:1) (CAS 21102-97-6), with molecular formula C17H25IN2S and molecular weight 416.08 g/mol. IUPAC: 4-(5-butyl-3,4-dimethyl-1,3-thiazol-3-ium-2-yl)-N,N-dimethylaniline iodide.
Chemical Property Profile of Thiazolium, 5-butyl-2-(4-(dimethylamino)phenyl)-3,4-dimethyl-, iodide (1:1)
Property Insights of Thiazolium, 5-butyl-2-(4-(dimethylamino)phenyl)-3,4-dimethyl-, iodide (1:1)
The XLogP value of 0.96062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiazolium, 5-butyl-2-(4-(dimethylamino)phenyl)-3,4-dimethyl-, iodide (1:1). With a topological polar surface area (TPSA) of 35.4 Ų, Thiazolium, 5-butyl-2-(4-(dimethylamino)phenyl)-3,4-dimethyl-, iodide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiazolium, 5-butyl-2-(4-(dimethylamino)phenyl)-3,4-dimethyl-, iodide (1:1) 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 Thiazolium, 5-butyl-2-(4-(dimethylamino)phenyl)-3,4-dimethyl-, iodide (1:1)?
The CAS number of Thiazolium, 5-butyl-2-(4-(dimethylamino)phenyl)-3,4-dimethyl-, iodide (1:1) is 21102-97-6.
What is the molecular formula of Thiazolium, 5-butyl-2-(4-(dimethylamino)phenyl)-3,4-dimethyl-, iodide (1:1)?
The molecular formula of Thiazolium, 5-butyl-2-(4-(dimethylamino)phenyl)-3,4-dimethyl-, iodide (1:1) is C17H25IN2S.
What is the molecular weight of Thiazolium, 5-butyl-2-(4-(dimethylamino)phenyl)-3,4-dimethyl-, iodide (1:1)?
The molecular weight of Thiazolium, 5-butyl-2-(4-(dimethylamino)phenyl)-3,4-dimethyl-, iodide (1:1) is 416.08 g/mol.
Where can I buy Thiazolium, 5-butyl-2-(4-(dimethylamino)phenyl)-3,4-dimethyl-, iodide (1:1)?
You can request a quote for Thiazolium, 5-butyl-2-(4-(dimethylamino)phenyl)-3,4-dimethyl-, 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 Thiazolium, 5-butyl-2-(4-(dimethylamino)phenyl)-3,4-dimethyl-, iodide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Thiazolium, 5-butyl-2-(4-(dimethylamino)phenyl)-3,4-dimethyl-, iodide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.