2-(1,3-Benzothiazol-2-yl)-3-hydroxyinden-1-one
TL;DR: 2-(1,3-Benzothiazol-2-yl)-3-hydroxyinden-1-one (CAS 6160-74-3) is a chemical compound with molecular formula C16H9NO2S and molecular weight 279.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-3-hydroxyinden-1-one
Also Known As: 2-(1,3-Benzothiazol-2-yl)-3-hydroxyinden-1-one, BIM-0001966.P001, 2-(3H-1,3-benzothiazol-2-ylidene)indene-1,3-dione, 1H-Inden-1-one,2-(2-benzothiazolyl)-3-hydroxy-, 2-(1,3-Benzothiazol-2(3H)-ylidene)-1H-indene-1,3(2H)-dione
| Molecular Formula | C16H9NO2S |
|---|---|
| Molecular Weight | 279.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.0354 |
| Heavy Atoms | 20 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 6160-74-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(C2=O)C3=NC4=CC=CC=C4S3)O |
| InChIKey | DQSAUGZXTDZDTL-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzothiazol-2-yl)-3-hydroxyinden-1-one (CAS 6160-74-3), with molecular formula C16H9NO2S and molecular weight 279.04 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-3-hydroxyinden-1-one.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-yl)-3-hydroxyinden-1-one
Property Insights of 2-(1,3-Benzothiazol-2-yl)-3-hydroxyinden-1-one
The XLogP value of 3.4 indicates that 2-(1,3-Benzothiazol-2-yl)-3-hydroxyinden-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzothiazol-2-yl)-3-hydroxyinden-1-one. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-yl)-3-hydroxyinden-1-one has 1 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 2-(1,3-Benzothiazol-2-yl)-3-hydroxyinden-1-one?
The CAS number of 2-(1,3-Benzothiazol-2-yl)-3-hydroxyinden-1-one is 6160-74-3.
What is the molecular formula of 2-(1,3-Benzothiazol-2-yl)-3-hydroxyinden-1-one?
The molecular formula of 2-(1,3-Benzothiazol-2-yl)-3-hydroxyinden-1-one is C16H9NO2S.
What is the molecular weight of 2-(1,3-Benzothiazol-2-yl)-3-hydroxyinden-1-one?
The molecular weight of 2-(1,3-Benzothiazol-2-yl)-3-hydroxyinden-1-one is 279.04 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-yl)-3-hydroxyinden-1-one?
You can request a quote for 2-(1,3-Benzothiazol-2-yl)-3-hydroxyinden-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzothiazol-2-yl)-3-hydroxyinden-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-yl)-3-hydroxyinden-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.