![1-(3-methylbenzoyl)benzo[c]isothiazol-3(1H)-one structure](/static/products/877/877811-68-2.png)
1-(3-methylbenzoyl)benzo[c]isothiazol-3(1H)-one
TL;DR: 1-(3-methylbenzoyl)benzo[c]isothiazol-3(1H)-one (CAS 877811-68-2) is a chemical compound with molecular formula C15H11NO2S and molecular weight 269.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylbenzoyl)-2,1-benzothiazol-3-one
Also Known As: 1-(3-methylbenzoyl)-2,1-benzothiazol-3-one, 1-(3-methylbenzoyl)benzo[c]isothiazol-3(1H)-one, 1-(3-methylbenzoyl)-1,3-dihydro-2,1-benzothiazol-3-one, F2552-0012
| Molecular Formula | C15H11NO2S |
|---|---|
| Molecular Weight | 269.05 g/mol |
| LogP | 3.05992 |
| Topological Polar Surface Area | 39.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.05106 |
| Heavy Atoms | 19 |
| Complexity | 829.2779 |
Chemical Identifiers
| CAS Number | 877811-68-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)N2C3=CC=CC=C3C(=O)S2 |
Product Overview
1-(3-methylbenzoyl)benzo[c]isothiazol-3(1H)-one (CAS 877811-68-2), with molecular formula C15H11NO2S and molecular weight 269.05 g/mol. IUPAC: 1-(3-methylbenzoyl)-2,1-benzothiazol-3-one.
Chemical Property Profile of 1-(3-methylbenzoyl)benzo[c]isothiazol-3(1H)-one
Property Insights of 1-(3-methylbenzoyl)benzo[c]isothiazol-3(1H)-one
The XLogP value of 3.05992 indicates that 1-(3-methylbenzoyl)benzo[c]isothiazol-3(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.07 Ų, 1-(3-methylbenzoyl)benzo[c]isothiazol-3(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-methylbenzoyl)benzo[c]isothiazol-3(1H)-one 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 1-(3-methylbenzoyl)benzo[c]isothiazol-3(1H)-one?
The CAS number of 1-(3-methylbenzoyl)benzo[c]isothiazol-3(1H)-one is 877811-68-2.
What is the molecular formula of 1-(3-methylbenzoyl)benzo[c]isothiazol-3(1H)-one?
The molecular formula of 1-(3-methylbenzoyl)benzo[c]isothiazol-3(1H)-one is C15H11NO2S.
What is the molecular weight of 1-(3-methylbenzoyl)benzo[c]isothiazol-3(1H)-one?
The molecular weight of 1-(3-methylbenzoyl)benzo[c]isothiazol-3(1H)-one is 269.05 g/mol.
Where can I buy 1-(3-methylbenzoyl)benzo[c]isothiazol-3(1H)-one?
You can request a quote for 1-(3-methylbenzoyl)benzo[c]isothiazol-3(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-methylbenzoyl)benzo[c]isothiazol-3(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-methylbenzoyl)benzo[c]isothiazol-3(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.