2-Octyl-1,3-benzothiazole
TL;DR: 2-Octyl-1,3-benzothiazole (CAS 758-18-9) is a chemical compound with molecular formula C15H21NS and molecular weight 247.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-octyl-1,3-benzothiazole
Also Known As: 2-octyl-1,3-benzothiazole, 2-Octylbenzothiazole, 2-octyl-1,2-benzisothiazol-3-one, J2.542.023C
| Molecular Formula | C15H21NS |
|---|---|
| Molecular Weight | 247.14 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 247.13947 |
| Heavy Atoms | 17 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 758-18-9 |
|---|---|
| SMILES | CCCCCCCCC1=NC2=CC=CC=C2S1 |
| InChIKey | XCLWNGDAGJERCT-UHFFFAOYSA-N |
Product Overview
2-Octyl-1,3-benzothiazole (CAS 758-18-9), with molecular formula C15H21NS and molecular weight 247.14 g/mol. IUPAC: 2-octyl-1,3-benzothiazole.
Chemical Property Profile of 2-Octyl-1,3-benzothiazole
Property Insights of 2-Octyl-1,3-benzothiazole
The XLogP value of 6.3 indicates that 2-Octyl-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 2-Octyl-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Octyl-1,3-benzothiazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Octyl-1,3-benzothiazole?
The CAS number of 2-Octyl-1,3-benzothiazole is 758-18-9.
What is the molecular formula of 2-Octyl-1,3-benzothiazole?
The molecular formula of 2-Octyl-1,3-benzothiazole is C15H21NS.
What is the molecular weight of 2-Octyl-1,3-benzothiazole?
The molecular weight of 2-Octyl-1,3-benzothiazole is 247.14 g/mol.
Where can I buy 2-Octyl-1,3-benzothiazole?
You can request a quote for 2-Octyl-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Octyl-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Octyl-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.