3-Benzothiazol-2-yl-8-hydroxychromen-2-one
TL;DR: 3-Benzothiazol-2-yl-8-hydroxychromen-2-one (CAS 111016-55-8) is a chemical compound with molecular formula C16H9NO3S and molecular weight 295.0303 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,3-benzothiazol-2-yl)-8-hydroxychromen-2-one
Also Known As: 3-benzothiazol-2-yl-8-hydroxychromen-2-one, 3-benzothiazol-2-yl-8-hydroxy-chromen-2-one, J2.426.241C, 3-(benzo[d]thiazol-2-yl)-8-hydroxy-2h-chromen-2-one, 3-(1,3-benzothiazol-2-yl)-8-hydroxychromen-2-one
Technical Specifications
| Molecular Formula | C16H9NO3S |
| Molecular Weight | 295.0303 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.0303 Da |
| Heavy Atoms | 21 |
| Complexity | 466.0 |
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC4=C(C(=CC=C4)O)OC3=O |
| InChIKey | KJPUTVGFFPPVJE-UHFFFAOYSA-N |
Chemical Property Profile of 3-Benzothiazol-2-yl-8-hydroxychromen-2-one
Property Insights of 3-Benzothiazol-2-yl-8-hydroxychromen-2-one
The XLogP value of 3.7 indicates that 3-Benzothiazol-2-yl-8-hydroxychromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzothiazol-2-yl-8-hydroxychromen-2-one. Following Lipinski's Rule of Five, 3-Benzothiazol-2-yl-8-hydroxychromen-2-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Benzothiazol-2-yl-8-hydroxychromen-2-one?
The CAS number of 3-Benzothiazol-2-yl-8-hydroxychromen-2-one is 111016-55-8.
What is the molecular formula of 3-Benzothiazol-2-yl-8-hydroxychromen-2-one?
The molecular formula of 3-Benzothiazol-2-yl-8-hydroxychromen-2-one is C16H9NO3S.
What is the molecular weight of 3-Benzothiazol-2-yl-8-hydroxychromen-2-one?
The molecular weight of 3-Benzothiazol-2-yl-8-hydroxychromen-2-one is 295.0303 g/mol.
Where can I buy 3-Benzothiazol-2-yl-8-hydroxychromen-2-one?
You can request a quote for 3-Benzothiazol-2-yl-8-hydroxychromen-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Benzothiazol-2-yl-8-hydroxychromen-2-one?
Yes, CoreyChem provides custom synthesis services for 3-Benzothiazol-2-yl-8-hydroxychromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.