2-Oxo-2-phenylethyl 2-benzothiazol-2-ylthioacetate
TL;DR: 2-Oxo-2-phenylethyl 2-benzothiazol-2-ylthioacetate (CAS 300570-86-9) is a chemical compound with molecular formula C17H13NO3S2 and molecular weight 343.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
Also Known As: 2-oxo-2-phenylethyl 2-benzothiazol-2-ylthioacetate, BIM-0013690.P001, phenacyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate, 2-oxo-2-phenylethyl (1,3-benzothiazol-2-ylsulfanyl)acetate, 2-oxo-2-phenylethyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
| Molecular Formula | C17H13NO3S2 |
|---|---|
| Molecular Weight | 343.03 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 343.0337 |
| Heavy Atoms | 23 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 300570-86-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)COC(=O)CSC2=NC3=CC=CC=C3S2 |
| InChIKey | ZKCHAKAJUHFASJ-UHFFFAOYSA-N |
Product Overview
2-Oxo-2-phenylethyl 2-benzothiazol-2-ylthioacetate (CAS 300570-86-9), with molecular formula C17H13NO3S2 and molecular weight 343.03 g/mol. IUPAC: phenacyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate.
Chemical Property Profile of 2-Oxo-2-phenylethyl 2-benzothiazol-2-ylthioacetate
Property Insights of 2-Oxo-2-phenylethyl 2-benzothiazol-2-ylthioacetate
The XLogP value of 4.6 indicates that 2-Oxo-2-phenylethyl 2-benzothiazol-2-ylthioacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-2-phenylethyl 2-benzothiazol-2-ylthioacetate. Following Lipinski's Rule of Five, 2-Oxo-2-phenylethyl 2-benzothiazol-2-ylthioacetate has 0 hydrogen bond donor(s) and 6 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-Oxo-2-phenylethyl 2-benzothiazol-2-ylthioacetate?
The CAS number of 2-Oxo-2-phenylethyl 2-benzothiazol-2-ylthioacetate is 300570-86-9.
What is the molecular formula of 2-Oxo-2-phenylethyl 2-benzothiazol-2-ylthioacetate?
The molecular formula of 2-Oxo-2-phenylethyl 2-benzothiazol-2-ylthioacetate is C17H13NO3S2.
What is the molecular weight of 2-Oxo-2-phenylethyl 2-benzothiazol-2-ylthioacetate?
The molecular weight of 2-Oxo-2-phenylethyl 2-benzothiazol-2-ylthioacetate is 343.03 g/mol.
Where can I buy 2-Oxo-2-phenylethyl 2-benzothiazol-2-ylthioacetate?
You can request a quote for 2-Oxo-2-phenylethyl 2-benzothiazol-2-ylthioacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-2-phenylethyl 2-benzothiazol-2-ylthioacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2-phenylethyl 2-benzothiazol-2-ylthioacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.