Ethanone, 2-(3-methyl-2(3H)-benzothiazolylidene)-1-phenyl-
TL;DR: Ethanone, 2-(3-methyl-2(3H)-benzothiazolylidene)-1-phenyl- (CAS 2783-70-2) is a chemical compound with molecular formula C16H13NOS and molecular weight 267.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methyl-1,3-benzothiazol-2-ylidene)-1-phenylethanone
Also Known As: IFLab1_005375, Ethanone, 2-(3-methyl-2(3H)-benzothiazolylidene)-1-phenyl-, 2-(3-methyl-1,3-benzothiazol-2-ylidene)-1-phenylethanone, 2-(3-Methyl-1,3-benzothiazol-2(3H)-ylidene)-1-phenylethan-1-one
| Molecular Formula | C16H13NOS |
|---|---|
| Molecular Weight | 267.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.07178 |
| Heavy Atoms | 19 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 2783-70-2 |
|---|---|
| SMILES | CN1C2=CC=CC=C2SC1=CC(=O)C3=CC=CC=C3 |
| InChIKey | ZOSCLVRDFHFOHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanone, 2-(3-methyl-2(3H)-benzothiazolylidene)-1-phenyl- (CAS 2783-70-2), with molecular formula C16H13NOS and molecular weight 267.07 g/mol. IUPAC: 2-(3-methyl-1,3-benzothiazol-2-ylidene)-1-phenylethanone.
Chemical Property Profile of Ethanone, 2-(3-methyl-2(3H)-benzothiazolylidene)-1-phenyl-
Property Insights of Ethanone, 2-(3-methyl-2(3H)-benzothiazolylidene)-1-phenyl-
The XLogP value of 3.9 indicates that Ethanone, 2-(3-methyl-2(3H)-benzothiazolylidene)-1-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, Ethanone, 2-(3-methyl-2(3H)-benzothiazolylidene)-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 2-(3-methyl-2(3H)-benzothiazolylidene)-1-phenyl- 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 Ethanone, 2-(3-methyl-2(3H)-benzothiazolylidene)-1-phenyl-?
The CAS number of Ethanone, 2-(3-methyl-2(3H)-benzothiazolylidene)-1-phenyl- is 2783-70-2.
What is the molecular formula of Ethanone, 2-(3-methyl-2(3H)-benzothiazolylidene)-1-phenyl-?
The molecular formula of Ethanone, 2-(3-methyl-2(3H)-benzothiazolylidene)-1-phenyl- is C16H13NOS.
What is the molecular weight of Ethanone, 2-(3-methyl-2(3H)-benzothiazolylidene)-1-phenyl-?
The molecular weight of Ethanone, 2-(3-methyl-2(3H)-benzothiazolylidene)-1-phenyl- is 267.07 g/mol.
Where can I buy Ethanone, 2-(3-methyl-2(3H)-benzothiazolylidene)-1-phenyl-?
You can request a quote for Ethanone, 2-(3-methyl-2(3H)-benzothiazolylidene)-1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 2-(3-methyl-2(3H)-benzothiazolylidene)-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 2-(3-methyl-2(3H)-benzothiazolylidene)-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.