Abminthic
TL;DR: Abminthic (CAS 169736-34-9) is a chemical compound with molecular formula C23H23IN2S2 and molecular weight 518.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole iodide
Also Known As: Abminthic, Dithiazinine, Anguifugan, Dilombrine, Dithiazine
| Molecular Formula | C23H23IN2S2 |
|---|---|
| Molecular Weight | 518.03 g/mol |
| LogP | 3.2557 |
| Topological Polar Surface Area | 7.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 518.0347 |
| Heavy Atoms | 28 |
| Complexity | 1049.6919 |
Chemical Identifiers
| CAS Number | 169736-34-9 |
|---|---|
| SMILES | CCN\1C2=CC=CC=C2S/C1=C/C=C/C=C/C3=[N+](C4=CC=CC=C4S3)CC.[I-] |
Product Overview
Abminthic (CAS 169736-34-9), with molecular formula C23H23IN2S2 and molecular weight 518.03 g/mol. IUPAC: (2E)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole iodide.
Chemical Property Profile of Abminthic
Property Insights of Abminthic
The XLogP value of 3.2557 indicates that Abminthic is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 7.12 Ų, Abminthic exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Abminthic has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Abminthic?
The CAS number of Abminthic is 169736-34-9.
What is the molecular formula of Abminthic?
The molecular formula of Abminthic is C23H23IN2S2.
What is the molecular weight of Abminthic?
The molecular weight of Abminthic is 518.03 g/mol.
Where can I buy Abminthic?
You can request a quote for Abminthic directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Abminthic?
Yes, KEHONG BIO provides custom synthesis services for Abminthic and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.