2-Octyl-1,2-benzothiazol-3(2h)-one 1,1-dioxide
TL;DR: 2-Octyl-1,2-benzothiazol-3(2h)-one 1,1-dioxide (CAS 40523-10-2) is a chemical compound with molecular formula C15H21NO3S and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-octyl-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: 2-Octyl-1,1-dioxide, 2-octyl-1,2-benzothiazol-3(2h)-one 1,1-dioxide, 2-octyl-1,1-dioxo-1,2-benzothiazol-3-one, 2-Octyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
| Molecular Formula | C15H21NO3S |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 295.1242 |
| Heavy Atoms | 20 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 40523-10-2 |
|---|---|
| SMILES | CCCCCCCCN1C(=O)C2=CC=CC=C2S1(=O)=O |
| InChIKey | FYEHSIOQKWUIAR-UHFFFAOYSA-N |
Product Overview
2-Octyl-1,2-benzothiazol-3(2h)-one 1,1-dioxide (CAS 40523-10-2), with molecular formula C15H21NO3S and molecular weight 295.12 g/mol. IUPAC: 2-octyl-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-Octyl-1,2-benzothiazol-3(2h)-one 1,1-dioxide
Property Insights of 2-Octyl-1,2-benzothiazol-3(2h)-one 1,1-dioxide
The XLogP value of 4.0 indicates that 2-Octyl-1,2-benzothiazol-3(2h)-one 1,1-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Octyl-1,2-benzothiazol-3(2h)-one 1,1-dioxide. Following Lipinski's Rule of Five, 2-Octyl-1,2-benzothiazol-3(2h)-one 1,1-dioxide 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-Octyl-1,2-benzothiazol-3(2h)-one 1,1-dioxide?
The CAS number of 2-Octyl-1,2-benzothiazol-3(2h)-one 1,1-dioxide is 40523-10-2.
What is the molecular formula of 2-Octyl-1,2-benzothiazol-3(2h)-one 1,1-dioxide?
The molecular formula of 2-Octyl-1,2-benzothiazol-3(2h)-one 1,1-dioxide is C15H21NO3S.
What is the molecular weight of 2-Octyl-1,2-benzothiazol-3(2h)-one 1,1-dioxide?
The molecular weight of 2-Octyl-1,2-benzothiazol-3(2h)-one 1,1-dioxide is 295.12 g/mol.
Where can I buy 2-Octyl-1,2-benzothiazol-3(2h)-one 1,1-dioxide?
You can request a quote for 2-Octyl-1,2-benzothiazol-3(2h)-one 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Octyl-1,2-benzothiazol-3(2h)-one 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-Octyl-1,2-benzothiazol-3(2h)-one 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.