![1-(benzofuran-2-carbonyl)benzo[c]isothiazol-3(1H)-one structure](/static/products/877/877811-87-5.png)
1-(benzofuran-2-carbonyl)benzo[c]isothiazol-3(1H)-one
TL;DR: 1-(benzofuran-2-carbonyl)benzo[c]isothiazol-3(1H)-one (CAS 877811-87-5) is a chemical compound with molecular formula C16H9NO3S and molecular weight 295.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-benzofuran-2-carbonyl)-2,1-benzothiazol-3-one
Also Known As: 1-(benzofuran-2-carbonyl)benzo[c]isothiazol-3(1H)-one, 1-(1-benzofuran-2-carbonyl)-1,3-dihydro-2,1-benzothiazol-3-one, 1-(1-benzofuran-2-carbonyl)-2,1-benzothiazol-3-one, F2552-0105, 1-[(1-benzofuran-2-yl)carbonyl]-2,1-benzisothiazol-3(1H)-one
| Molecular Formula | C16H9NO3S |
|---|---|
| Molecular Weight | 295.03 g/mol |
| LogP | 3.4977 |
| Topological Polar Surface Area | 52.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.0303 |
| Heavy Atoms | 21 |
| Complexity | 1005.23285 |
Chemical Identifiers
| CAS Number | 877811-87-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(O2)C(=O)N3C4=CC=CC=C4C(=O)S3 |
Product Overview
1-(benzofuran-2-carbonyl)benzo[c]isothiazol-3(1H)-one (CAS 877811-87-5), with molecular formula C16H9NO3S and molecular weight 295.03 g/mol. IUPAC: 1-(1-benzofuran-2-carbonyl)-2,1-benzothiazol-3-one.
Chemical Property Profile of 1-(benzofuran-2-carbonyl)benzo[c]isothiazol-3(1H)-one
Property Insights of 1-(benzofuran-2-carbonyl)benzo[c]isothiazol-3(1H)-one
The XLogP value of 3.4977 indicates that 1-(benzofuran-2-carbonyl)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 52.21 Ų, 1-(benzofuran-2-carbonyl)benzo[c]isothiazol-3(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(benzofuran-2-carbonyl)benzo[c]isothiazol-3(1H)-one has 0 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 1-(benzofuran-2-carbonyl)benzo[c]isothiazol-3(1H)-one?
The CAS number of 1-(benzofuran-2-carbonyl)benzo[c]isothiazol-3(1H)-one is 877811-87-5.
What is the molecular formula of 1-(benzofuran-2-carbonyl)benzo[c]isothiazol-3(1H)-one?
The molecular formula of 1-(benzofuran-2-carbonyl)benzo[c]isothiazol-3(1H)-one is C16H9NO3S.
What is the molecular weight of 1-(benzofuran-2-carbonyl)benzo[c]isothiazol-3(1H)-one?
The molecular weight of 1-(benzofuran-2-carbonyl)benzo[c]isothiazol-3(1H)-one is 295.03 g/mol.
Where can I buy 1-(benzofuran-2-carbonyl)benzo[c]isothiazol-3(1H)-one?
You can request a quote for 1-(benzofuran-2-carbonyl)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-(benzofuran-2-carbonyl)benzo[c]isothiazol-3(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(benzofuran-2-carbonyl)benzo[c]isothiazol-3(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.