RefChem:164694
TL;DR: RefChem:164694 (CAS 63815-93-0) is a chemical compound with molecular formula C17H18INS2 and molecular weight 426.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-(2-methylsulfanylbut-1-enyl)benzo[e][1,3]benzothiazol-1-ium iodide
Also Known As: Naphtho(1,2-d)thiazolium, 1-methyl-2-(2-(methylthio)-1-butenyl)-, iodide, Naphtho(1,2-d)thiazolium, 1-methyl-2-(2-(methylthio)-1-buten-1-yl)-, iodide (1:1), Naphtho[1,2-d]thiazolium, 1-methyl-2-[2-(methylthio)-1-butenyl]-, iodide, Naphtho[1,2-d]thiazolium, 1-methyl-2-[2-(methylthio)-1-buten-1-yl]-, iodide (1:1), 1-methyl-2-(2-methylsulfanylbut-1-enyl)benzo[e][1,3]benzothiazol-1-ium iodide
| Molecular Formula | C17H18INS2 |
|---|---|
| Molecular Weight | 426.99 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.99255 |
| Heavy Atoms | 21 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 63815-93-0 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=C(S1)C=CC3=CC=CC=C32)C)SC.[I-] |
| InChIKey | CQXHHMZANABCJZ-UHFFFAOYSA-M |
Product Overview
RefChem:164694 (CAS 63815-93-0), with molecular formula C17H18INS2 and molecular weight 426.99 g/mol. IUPAC: 1-methyl-2-(2-methylsulfanylbut-1-enyl)benzo[e][1,3]benzothiazol-1-ium iodide.
Chemical Property Profile of RefChem:164694
Property Insights of RefChem:164694
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:164694. With a topological polar surface area (TPSA) of 57.4 Ų, RefChem:164694 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:164694 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 RefChem:164694?
The CAS number of RefChem:164694 is 63815-93-0.
What is the molecular formula of RefChem:164694?
The molecular formula of RefChem:164694 is C17H18INS2.
What is the molecular weight of RefChem:164694?
The molecular weight of RefChem:164694 is 426.99 g/mol.
Where can I buy RefChem:164694?
You can request a quote for RefChem:164694 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:164694?
Yes, KEHONG BIO provides custom synthesis services for RefChem:164694 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.