EINECS 213-001-8
TL;DR: EINECS 213-001-8 (CAS 909-63-7) is a chemical compound with molecular formula C23H25IN2S2 and molecular weight 520.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole iodide
Also Known As: EINECS 213-001-8, 3-ethyl-2-[2-[ methyl]but-1-enyl]benzothiazoliumiodide, 3-Ethyl-2-[2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole;iodide, 2-Aethyl-1,3-bis-(3-aethyl-benzothiazol-2-yl)-trimethinium,Jodid, 3-Ethyl-2-(2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)benzothiazolium iodide
| Molecular Formula | C23H25IN2S2 |
|---|---|
| Molecular Weight | 520.05 g/mol |
| LogP | 3.4797 |
| Topological Polar Surface Area | 7.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 520.0504 |
| Heavy Atoms | 28 |
| Complexity | 1036.0133 |
Chemical Identifiers
| CAS Number | 909-63-7 |
|---|---|
| SMILES | CC/C(=C\C1=[N+](C2=CC=CC=C2S1)CC)/C=C\3/N(C4=CC=CC=C4S3)CC.[I-] |
Product Overview
EINECS 213-001-8 (CAS 909-63-7), with molecular formula C23H25IN2S2 and molecular weight 520.05 g/mol. IUPAC: (2Z)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole iodide.
Chemical Property Profile of EINECS 213-001-8
Property Insights of EINECS 213-001-8
The XLogP value of 3.4797 indicates that EINECS 213-001-8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 7.12 Ų, EINECS 213-001-8 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 213-001-8 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 EINECS 213-001-8?
The CAS number of EINECS 213-001-8 is 909-63-7.
What is the molecular formula of EINECS 213-001-8?
The molecular formula of EINECS 213-001-8 is C23H25IN2S2.
What is the molecular weight of EINECS 213-001-8?
The molecular weight of EINECS 213-001-8 is 520.05 g/mol.
Where can I buy EINECS 213-001-8?
You can request a quote for EINECS 213-001-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 213-001-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 213-001-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.