![1-(benzo[d][1,3]dioxole-5-carbonyl)benzo[c]isothiazol-3(1H)-one structure](/static/products/877/877811-76-2.png)
1-(benzo[d][1,3]dioxole-5-carbonyl)benzo[c]isothiazol-3(1H)-one
TL;DR: 1-(benzo[d][1,3]dioxole-5-carbonyl)benzo[c]isothiazol-3(1H)-one (CAS 877811-76-2) is a chemical compound with molecular formula C15H9NO4S and molecular weight 299.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxole-5-carbonyl)-2,1-benzothiazol-3-one
Also Known As: 1-(2H-1,3-benzodioxole-5-carbonyl)-1,3-dihydro-2,1-benzothiazol-3-one, 1-piperonyloyl-2,1-benzisothiazol-3(1H)-one, F2552-0028, 1-(1,3-benzodioxole-5-carbonyl)-2,1-benzothiazol-3-one, 1-(benzo[d][1,3]dioxole-5-carbonyl)benzo[c]isothiazol-3(1H)-one
| Molecular Formula | C15H9NO4S |
|---|---|
| Molecular Weight | 299.03 g/mol |
| LogP | 2.4802 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 299.02524 |
| Heavy Atoms | 21 |
| Complexity | 924.8135 |
Chemical Identifiers
| CAS Number | 877811-76-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)N3C4=CC=CC=C4C(=O)S3 |
Product Overview
1-(benzo[d][1,3]dioxole-5-carbonyl)benzo[c]isothiazol-3(1H)-one (CAS 877811-76-2), with molecular formula C15H9NO4S and molecular weight 299.03 g/mol. IUPAC: 1-(1,3-benzodioxole-5-carbonyl)-2,1-benzothiazol-3-one.
Chemical Property Profile of 1-(benzo[d][1,3]dioxole-5-carbonyl)benzo[c]isothiazol-3(1H)-one
Property Insights of 1-(benzo[d][1,3]dioxole-5-carbonyl)benzo[c]isothiazol-3(1H)-one
The XLogP value of 2.4802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(benzo[d][1,3]dioxole-5-carbonyl)benzo[c]isothiazol-3(1H)-one. With a topological polar surface area (TPSA) of 57.53 Ų, 1-(benzo[d][1,3]dioxole-5-carbonyl)benzo[c]isothiazol-3(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(benzo[d][1,3]dioxole-5-carbonyl)benzo[c]isothiazol-3(1H)-one has 0 hydrogen bond donor(s) and 5 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-(benzo[d][1,3]dioxole-5-carbonyl)benzo[c]isothiazol-3(1H)-one?
The CAS number of 1-(benzo[d][1,3]dioxole-5-carbonyl)benzo[c]isothiazol-3(1H)-one is 877811-76-2.
What is the molecular formula of 1-(benzo[d][1,3]dioxole-5-carbonyl)benzo[c]isothiazol-3(1H)-one?
The molecular formula of 1-(benzo[d][1,3]dioxole-5-carbonyl)benzo[c]isothiazol-3(1H)-one is C15H9NO4S.
What is the molecular weight of 1-(benzo[d][1,3]dioxole-5-carbonyl)benzo[c]isothiazol-3(1H)-one?
The molecular weight of 1-(benzo[d][1,3]dioxole-5-carbonyl)benzo[c]isothiazol-3(1H)-one is 299.03 g/mol.
Where can I buy 1-(benzo[d][1,3]dioxole-5-carbonyl)benzo[c]isothiazol-3(1H)-one?
You can request a quote for 1-(benzo[d][1,3]dioxole-5-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-(benzo[d][1,3]dioxole-5-carbonyl)benzo[c]isothiazol-3(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(benzo[d][1,3]dioxole-5-carbonyl)benzo[c]isothiazol-3(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.