Benzothiazolium, 3-(3-hydroxypropyl)-5-methoxy-2-methyl-, iodide (1:1)
TL;DR: Benzothiazolium, 3-(3-hydroxypropyl)-5-methoxy-2-methyl-, iodide (1:1) (CAS 65776-64-9) is a chemical compound with molecular formula C12H16INO2S and molecular weight 364.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propan-1-ol iodide
Also Known As: 3-5-methoxy-2-methylbenzothiazoliumiodide, 3-(3-Hydroxypropyl)-5-methoxy-2-methylbenzothiazolium iodide, 3- -5-methoxy-2-methylbenzothiazoliumiodide, Benzothiazolium, 3-(3-hydroxypropyl)-5-methoxy-2-methyl-, iodide, Benzothiazolium, 3-(3-hydroxypropyl)-5-methoxy-2-methyl-, iodide (1:1)
| Molecular Formula | C12H16INO2S |
|---|---|
| Molecular Weight | 364.99 g/mol |
| LogP | -1.11 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.99466 |
| Heavy Atoms | 17 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 65776-64-9 |
|---|---|
| SMILES | CC1=[N+](C2=C(S1)C=CC(=C2)OC)CCCO.[I-] |
| InChIKey | XBGABTWBPWSCNG-UHFFFAOYSA-M |
Product Overview
Benzothiazolium, 3-(3-hydroxypropyl)-5-methoxy-2-methyl-, iodide (1:1) (CAS 65776-64-9), with molecular formula C12H16INO2S and molecular weight 364.99 g/mol. IUPAC: 3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propan-1-ol iodide.
Chemical Property Profile of Benzothiazolium, 3-(3-hydroxypropyl)-5-methoxy-2-methyl-, iodide (1:1)
Property Insights of Benzothiazolium, 3-(3-hydroxypropyl)-5-methoxy-2-methyl-, iodide (1:1)
The XLogP value of -1.11 indicates that Benzothiazolium, 3-(3-hydroxypropyl)-5-methoxy-2-methyl-, iodide (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzothiazolium, 3-(3-hydroxypropyl)-5-methoxy-2-methyl-, iodide (1:1). Following Lipinski's Rule of Five, Benzothiazolium, 3-(3-hydroxypropyl)-5-methoxy-2-methyl-, iodide (1:1) has 1 hydrogen bond donor(s) and 4 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 Benzothiazolium, 3-(3-hydroxypropyl)-5-methoxy-2-methyl-, iodide (1:1)?
The CAS number of Benzothiazolium, 3-(3-hydroxypropyl)-5-methoxy-2-methyl-, iodide (1:1) is 65776-64-9.
What is the molecular formula of Benzothiazolium, 3-(3-hydroxypropyl)-5-methoxy-2-methyl-, iodide (1:1)?
The molecular formula of Benzothiazolium, 3-(3-hydroxypropyl)-5-methoxy-2-methyl-, iodide (1:1) is C12H16INO2S.
What is the molecular weight of Benzothiazolium, 3-(3-hydroxypropyl)-5-methoxy-2-methyl-, iodide (1:1)?
The molecular weight of Benzothiazolium, 3-(3-hydroxypropyl)-5-methoxy-2-methyl-, iodide (1:1) is 364.99 g/mol.
Where can I buy Benzothiazolium, 3-(3-hydroxypropyl)-5-methoxy-2-methyl-, iodide (1:1)?
You can request a quote for Benzothiazolium, 3-(3-hydroxypropyl)-5-methoxy-2-methyl-, 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 Benzothiazolium, 3-(3-hydroxypropyl)-5-methoxy-2-methyl-, iodide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazolium, 3-(3-hydroxypropyl)-5-methoxy-2-methyl-, iodide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.