3-(2-Oxo-2-phenylethyl)-1,3-benzothiazol-2(3H)-one
TL;DR: 3-(2-Oxo-2-phenylethyl)-1,3-benzothiazol-2(3H)-one (CAS 4614-21-5) is a chemical compound with molecular formula C15H11NO2S and molecular weight 269.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenacyl-1,3-benzothiazol-2-one
Also Known As: 3-phenacyl-1,3-benzothiazol-2-one, 3-phenacylbenzothiazol-2-one, 2-Oxo-N-phenacyl-benzthiazolin, 2(3H)-Benzothiazolone, 3-(2-oxo-2-phenylethyl)-, 3-(2-Oxo-2-phenylethyl)-1,3-benzothiazol-2(3H)-one
| Molecular Formula | C15H11NO2S |
|---|---|
| Molecular Weight | 269.05 g/mol |
| LogP | 2.9459 |
| Topological Polar Surface Area | 39.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.05106 |
| Heavy Atoms | 19 |
| Complexity | 786.51575 |
Chemical Identifiers
| CAS Number | 4614-21-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3SC2=O |
Product Overview
3-(2-Oxo-2-phenylethyl)-1,3-benzothiazol-2(3H)-one (CAS 4614-21-5), with molecular formula C15H11NO2S and molecular weight 269.05 g/mol. IUPAC: 3-phenacyl-1,3-benzothiazol-2-one.
Chemical Property Profile of 3-(2-Oxo-2-phenylethyl)-1,3-benzothiazol-2(3H)-one
Property Insights of 3-(2-Oxo-2-phenylethyl)-1,3-benzothiazol-2(3H)-one
The XLogP value of 2.9459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Oxo-2-phenylethyl)-1,3-benzothiazol-2(3H)-one. With a topological polar surface area (TPSA) of 39.07 Ų, 3-(2-Oxo-2-phenylethyl)-1,3-benzothiazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Oxo-2-phenylethyl)-1,3-benzothiazol-2(3H)-one has 0 hydrogen bond donor(s) and 3 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 3-(2-Oxo-2-phenylethyl)-1,3-benzothiazol-2(3H)-one?
The CAS number of 3-(2-Oxo-2-phenylethyl)-1,3-benzothiazol-2(3H)-one is 4614-21-5.
What is the molecular formula of 3-(2-Oxo-2-phenylethyl)-1,3-benzothiazol-2(3H)-one?
The molecular formula of 3-(2-Oxo-2-phenylethyl)-1,3-benzothiazol-2(3H)-one is C15H11NO2S.
What is the molecular weight of 3-(2-Oxo-2-phenylethyl)-1,3-benzothiazol-2(3H)-one?
The molecular weight of 3-(2-Oxo-2-phenylethyl)-1,3-benzothiazol-2(3H)-one is 269.05 g/mol.
Where can I buy 3-(2-Oxo-2-phenylethyl)-1,3-benzothiazol-2(3H)-one?
You can request a quote for 3-(2-Oxo-2-phenylethyl)-1,3-benzothiazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Oxo-2-phenylethyl)-1,3-benzothiazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Oxo-2-phenylethyl)-1,3-benzothiazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.