碘化噻唑鎓
TL;DR: 碘化噻唑鎓 (CAS 17790-36-2) 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.
碘化噻唑鎓
N,N-dimethyl-4-(3-methyl-4-pentyl-1,3-thiazol-3-ium-2-yl)aniline iodide
Also Known As: Thiazolium, iodide, 2-(p-(Dimethylamino)phenyl)-3-methyl-4-pentyl-thiazolium iodide, Thiazolium, 2-(p-(dimethylamino)phenyl)-3-methyl-4-pentyl-, iodide, N,N-dimethyl-4-(3-methyl-4-pentyl-1,3-thiazol-3-ium-2-yl)ani, N,N-Dimethyl-4-(3-methyl-4-pentyl-1,3-thiazol-2(3H)-ylidene)cyclohexa-2,5-dien-1-iminium iodide
| Molecular Formula | C17H25IN2S |
|---|---|
| Molecular Weight | 416.08 g/mol |
| LogP | 1.0423 |
| Topological Polar Surface Area | 35.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.0783 |
| Heavy Atoms | 21 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 17790-36-2 |
|---|---|
| SMILES | CCCCCC1=CSC(=[N+]1C)C2=CC=C(C=C2)N(C)C.[I-] |
| InChIKey | JJQYYKMKBGZLLB-UHFFFAOYSA-M |
Product Overview
碘化噻唑鎓 (CAS 17790-36-2), with molecular formula C17H25IN2S and molecular weight 416.08 g/mol. IUPAC: N,N-dimethyl-4-(3-methyl-4-pentyl-1,3-thiazol-3-ium-2-yl)aniline iodide.
Chemical Property Profile of 碘化噻唑鎓
Property Insights of 碘化噻唑鎓
The XLogP value of 1.0423 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 碘化噻唑鎓. With a topological polar surface area (TPSA) of 35.4 Ų, 碘化噻唑鎓 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 碘化噻唑鎓 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 碘化噻唑鎓?
The CAS number of 碘化噻唑鎓 is 17790-36-2.
What is the molecular formula of 碘化噻唑鎓?
The molecular formula of 碘化噻唑鎓 is C17H25IN2S.
What is the molecular weight of 碘化噻唑鎓?
The molecular weight of 碘化噻唑鎓 is 416.08 g/mol.
Where can I buy 碘化噻唑鎓?
You can request a quote for 碘化噻唑鎓 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 碘化噻唑鎓?
Yes, KEHONG BIO provides custom synthesis services for 碘化噻唑鎓 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.