2-(1-Methyl-butoxy)-benzothiazole
TL;DR: 2-(1-Methyl-butoxy)-benzothiazole (CAS 322761-90-0) is a chemical compound with molecular formula C12H15NOS and molecular weight 221.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pentan-2-yloxy-1,3-benzothiazole
Also Known As: Benzothiazole,2- -, 2-pentan-2-yloxybenzothiazole, 2-(1-Methylbutyl)oxybenzothiazole, 2-pentan-2-yloxy-1,3-benzothiazole, 2-(2-Pentanyloxy)-1,3-benzothiazole
| Molecular Formula | C12H15NOS |
|---|---|
| Molecular Weight | 221.09 g/mol |
| LogP | 3.8637 |
| Topological Polar Surface Area | 22.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.08743 |
| Heavy Atoms | 15 |
| Complexity | 404.86966 |
Chemical Identifiers
| CAS Number | 322761-90-0 |
|---|---|
| SMILES | CCCC(C)OC1=NC2=CC=CC=C2S1 |
Product Overview
2-(1-Methyl-butoxy)-benzothiazole (CAS 322761-90-0), with molecular formula C12H15NOS and molecular weight 221.09 g/mol. IUPAC: 2-pentan-2-yloxy-1,3-benzothiazole.
Chemical Property Profile of 2-(1-Methyl-butoxy)-benzothiazole
Property Insights of 2-(1-Methyl-butoxy)-benzothiazole
The XLogP value of 3.8637 indicates that 2-(1-Methyl-butoxy)-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.12 Ų, 2-(1-Methyl-butoxy)-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Methyl-butoxy)-benzothiazole 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 2-(1-Methyl-butoxy)-benzothiazole?
The CAS number of 2-(1-Methyl-butoxy)-benzothiazole is 322761-90-0.
What is the molecular formula of 2-(1-Methyl-butoxy)-benzothiazole?
The molecular formula of 2-(1-Methyl-butoxy)-benzothiazole is C12H15NOS.
What is the molecular weight of 2-(1-Methyl-butoxy)-benzothiazole?
The molecular weight of 2-(1-Methyl-butoxy)-benzothiazole is 221.09 g/mol.
Where can I buy 2-(1-Methyl-butoxy)-benzothiazole?
You can request a quote for 2-(1-Methyl-butoxy)-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Methyl-butoxy)-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Methyl-butoxy)-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.