![1-(4-ethoxybenzoyl)benzo[c]isothiazol-3(1H)-one structure](/static/products/877/877811-73-9.png)
1-(4-ethoxybenzoyl)benzo[c]isothiazol-3(1H)-one
TL;DR: 1-(4-ethoxybenzoyl)benzo[c]isothiazol-3(1H)-one (CAS 877811-73-9) is a chemical compound with molecular formula C16H13NO3S and molecular weight 299.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-ethoxybenzoyl)-2,1-benzothiazol-3-one
Also Known As: 1-(4-ethoxybenzoyl)-1,3-dihydro-2,1-benzothiazol-3-one, 1-(4-ethoxybenzoyl)-2,1-benzothiazol-3-one, 1-(4-ethoxybenzoyl)benzo[c]isothiazol-3(1H)-one, F2552-0021
| Molecular Formula | C16H13NO3S |
|---|---|
| Molecular Weight | 299.06 g/mol |
| LogP | 3.1502 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.0616 |
| Heavy Atoms | 21 |
| Complexity | 845.83466 |
Chemical Identifiers
| CAS Number | 877811-73-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3C(=O)S2 |
Product Overview
1-(4-ethoxybenzoyl)benzo[c]isothiazol-3(1H)-one (CAS 877811-73-9), with molecular formula C16H13NO3S and molecular weight 299.06 g/mol. IUPAC: 1-(4-ethoxybenzoyl)-2,1-benzothiazol-3-one.
Chemical Property Profile of 1-(4-ethoxybenzoyl)benzo[c]isothiazol-3(1H)-one
Property Insights of 1-(4-ethoxybenzoyl)benzo[c]isothiazol-3(1H)-one
The XLogP value of 3.1502 indicates that 1-(4-ethoxybenzoyl)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 48.3 Ų, 1-(4-ethoxybenzoyl)benzo[c]isothiazol-3(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-ethoxybenzoyl)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-(4-ethoxybenzoyl)benzo[c]isothiazol-3(1H)-one?
The CAS number of 1-(4-ethoxybenzoyl)benzo[c]isothiazol-3(1H)-one is 877811-73-9.
What is the molecular formula of 1-(4-ethoxybenzoyl)benzo[c]isothiazol-3(1H)-one?
The molecular formula of 1-(4-ethoxybenzoyl)benzo[c]isothiazol-3(1H)-one is C16H13NO3S.
What is the molecular weight of 1-(4-ethoxybenzoyl)benzo[c]isothiazol-3(1H)-one?
The molecular weight of 1-(4-ethoxybenzoyl)benzo[c]isothiazol-3(1H)-one is 299.06 g/mol.
Where can I buy 1-(4-ethoxybenzoyl)benzo[c]isothiazol-3(1H)-one?
You can request a quote for 1-(4-ethoxybenzoyl)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-(4-ethoxybenzoyl)benzo[c]isothiazol-3(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-ethoxybenzoyl)benzo[c]isothiazol-3(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.