2-Benzothiazol-2-YL-3-hydroxy-5,5-dimethylcyclohex-2-EN-1-one
TL;DR: 2-Benzothiazol-2-YL-3-hydroxy-5,5-dimethylcyclohex-2-EN-1-one (CAS 56995-06-3) is a chemical compound with molecular formula C15H15NO2S and molecular weight 273.08 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-hydroxy-5,5-dimethylcyclohex-2-en-1-one
Also Known As: 2-BENZOTHIAZOL-2-YL-3-HYDROXY-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE, 2-(1,3-benzothiazol-2-yl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one, 2-(3H-benzothiazol-2-ylidene)-5,5-dimethyl-cyclohexane-1,3-dione, 2-(1,3-benzothiazol-2-yl)-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one, 2-(3H-1,3-benzothiazol-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione
| Molecular Formula | C15H15NO2S |
|---|---|
| Molecular Weight | 273.08 g/mol |
| LogP | 3.9545 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.08234 |
| Heavy Atoms | 19 |
| Complexity | 663.9884 |
Chemical Identifiers
| CAS Number | 56995-06-3 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)C2=NC3=CC=CC=C3S2)O)C |
Product Overview
2-Benzothiazol-2-YL-3-hydroxy-5,5-dimethylcyclohex-2-EN-1-one (CAS 56995-06-3), with molecular formula C15H15NO2S and molecular weight 273.08 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 2-Benzothiazol-2-YL-3-hydroxy-5,5-dimethylcyclohex-2-EN-1-one
Property Insights of 2-Benzothiazol-2-YL-3-hydroxy-5,5-dimethylcyclohex-2-EN-1-one
The XLogP value of 3.9545 indicates that 2-Benzothiazol-2-YL-3-hydroxy-5,5-dimethylcyclohex-2-EN-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.19 Ų, 2-Benzothiazol-2-YL-3-hydroxy-5,5-dimethylcyclohex-2-EN-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzothiazol-2-YL-3-hydroxy-5,5-dimethylcyclohex-2-EN-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-Benzothiazol-2-YL-3-hydroxy-5,5-dimethylcyclohex-2-EN-1-one?
The CAS number of 2-Benzothiazol-2-YL-3-hydroxy-5,5-dimethylcyclohex-2-EN-1-one is 56995-06-3.
What is the molecular formula of 2-Benzothiazol-2-YL-3-hydroxy-5,5-dimethylcyclohex-2-EN-1-one?
The molecular formula of 2-Benzothiazol-2-YL-3-hydroxy-5,5-dimethylcyclohex-2-EN-1-one is C15H15NO2S.
What is the molecular weight of 2-Benzothiazol-2-YL-3-hydroxy-5,5-dimethylcyclohex-2-EN-1-one?
The molecular weight of 2-Benzothiazol-2-YL-3-hydroxy-5,5-dimethylcyclohex-2-EN-1-one is 273.08 g/mol.
Where can I buy 2-Benzothiazol-2-YL-3-hydroxy-5,5-dimethylcyclohex-2-EN-1-one?
You can request a quote for 2-Benzothiazol-2-YL-3-hydroxy-5,5-dimethylcyclohex-2-EN-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-Benzothiazol-2-YL-3-hydroxy-5,5-dimethylcyclohex-2-EN-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzothiazol-2-YL-3-hydroxy-5,5-dimethylcyclohex-2-EN-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.