2-(2-Oxo-1,3-benzothiazol-3(2h)-yl)ethyl benzoate
TL;DR: 2-(2-Oxo-1,3-benzothiazol-3(2h)-yl)ethyl benzoate (CAS 22258-68-0) 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.
2-(2-oxo-1,3-benzothiazol-3-yl)ethyl benzoate
Also Known As: 2-(2-oxo-1,3-benzothiazol-3(2h)-yl)ethyl benzoate, 2-(2-oxo-1,3-benzothiazol-3-yl)ethyl benzoate, 2(3H)-Benzothiazolone,3-[2-(benzoyloxy)ethyl]-
| Molecular Formula | C16H13NO3S |
|---|---|
| Molecular Weight | 299.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.0616 |
| Heavy Atoms | 21 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 22258-68-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCN2C3=CC=CC=C3SC2=O |
| InChIKey | SNVVZQINZBPMBH-UHFFFAOYSA-N |
Product Overview
2-(2-Oxo-1,3-benzothiazol-3(2h)-yl)ethyl benzoate (CAS 22258-68-0), with molecular formula C16H13NO3S and molecular weight 299.06 g/mol. IUPAC: 2-(2-oxo-1,3-benzothiazol-3-yl)ethyl benzoate.
Chemical Property Profile of 2-(2-Oxo-1,3-benzothiazol-3(2h)-yl)ethyl benzoate
Property Insights of 2-(2-Oxo-1,3-benzothiazol-3(2h)-yl)ethyl benzoate
The XLogP value of 3.4 indicates that 2-(2-Oxo-1,3-benzothiazol-3(2h)-yl)ethyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Oxo-1,3-benzothiazol-3(2h)-yl)ethyl benzoate. Following Lipinski's Rule of Five, 2-(2-Oxo-1,3-benzothiazol-3(2h)-yl)ethyl benzoate 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 2-(2-Oxo-1,3-benzothiazol-3(2h)-yl)ethyl benzoate?
The CAS number of 2-(2-Oxo-1,3-benzothiazol-3(2h)-yl)ethyl benzoate is 22258-68-0.
What is the molecular formula of 2-(2-Oxo-1,3-benzothiazol-3(2h)-yl)ethyl benzoate?
The molecular formula of 2-(2-Oxo-1,3-benzothiazol-3(2h)-yl)ethyl benzoate is C16H13NO3S.
What is the molecular weight of 2-(2-Oxo-1,3-benzothiazol-3(2h)-yl)ethyl benzoate?
The molecular weight of 2-(2-Oxo-1,3-benzothiazol-3(2h)-yl)ethyl benzoate is 299.06 g/mol.
Where can I buy 2-(2-Oxo-1,3-benzothiazol-3(2h)-yl)ethyl benzoate?
You can request a quote for 2-(2-Oxo-1,3-benzothiazol-3(2h)-yl)ethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Oxo-1,3-benzothiazol-3(2h)-yl)ethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Oxo-1,3-benzothiazol-3(2h)-yl)ethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.